5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide

C155H204N42O11S2 — CID 159779485

IUPAC5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(=O)N(C)C)cc(C)n1.CNc1cc(C(=O)N2CCCC2)cc(C)n1.CNc1cc(C(C)(C)C)on1.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C(=O)NC2CCC2)c1.CNc1cccc(C(=O)NCC2CC2)c1.CNc1cccc(C2N=CN=N2)c1.CNc1ccon1
InChIInChI=1S/C12H17N3O.2C12H16N2O.C12H18N2O.2C10H12N4O.C10H15N3O.C10H11N3.2C10H10N2S.C9H10N4.2C9H12N2O.C8H13N3.C8H14N2O.C4H6N2O/c1-9-7-10(8-11(13-2)14-9)12(16)15-5-3-4-6-15;1-13-11-7-2-4-9(8-11)12(15)14-10-5-3-6-10;1-13-11-4-2-3-10(7-11)12(15)14-8-9-5-6-9;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;2*1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-7-5-8(10(14)13(3)4)6-9(11-2)12-7;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;2*1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;2*1-10-8-5-3-4-7(6-8)9(12)11-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-8(2,3)6-5-7(9-4)10-11-6;1-5-4-2-3-7-6-4/h7-8H,3-6H2,1-2H3,(H,13,14);2,4,7-8,10,13H,3,5-6H2,1H3,(H,14,15);2-4,7,9,13H,5-6,8H2,1H3,(H,14,15);5-9,13H,1-4H3;2*3-6,11H,1-2H3,(H,12,13,14);5-6H,1-4H3,(H,11,12);2-7,11H,1H3,(H,12,13);2*2-7,11H,1H3;2-6,9-10H,1H3;2*3-6,10H,1-2H3,(H,11,12);5-6,9H,3-4H2,1-2H3;5H,1-4H3,(H,9,10);2-3H,1H3,(H,5,6)
InChIKeyNHEDRHFVPMEZDL-UHFFFAOYSA-N
MW2895.75 g/mol
LogP28.82
Rot. Bonds36

About 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide

5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 159779485) has the molecular formula C155H204N42O11S2 and a molecular weight of 2895.75 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
PubChem CID159779485
Molecular FormulaC155H204N42O11S2
Molecular Weight2895.75 g/mol
Exact Mass2893.61
IUPAC Name5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(=O)N(C)C)cc(C)n1.CNc1cc(C(=O)N2CCCC2)cc(C)n1.CNc1cc(C(C)(C)C)on1.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C(=O)NC2CCC2)c1.CNc1cccc(C(=O)NCC2CC2)c1.CNc1cccc(C2N=CN=N2)c1.CNc1ccon1
InChIInChI=1S/C12H17N3O.2C12H16N2O.C12H18N2O.2C10H12N4O.C10H15N3O.C10H11N3.2C10H10N2S.C9H10N4.2C9H12N2O.C8H13N3.C8H14N2O.C4H6N2O/c1-9-7-10(8-11(13-2)14-9)12(16)15-5-3-4-6-15;1-13-11-7-2-4-9(8-11)12(15)14-10-5-3-6-10;1-13-11-4-2-3-10(7-11)12(15)14-8-9-5-6-9;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;2*1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-7-5-8(10(14)13(3)4)6-9(11-2)12-7;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;2*1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;2*1-10-8-5-3-4-7(6-8)9(12)11-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-8(2,3)6-5-7(9-4)10-11-6;1-5-4-2-3-7-6-4/h7-8H,3-6H2,1-2H3,(H,13,14);2,4,7-8,10,13H,3,5-6H2,1H3,(H,14,15);2-4,7,9,13H,5-6,8H2,1H3,(H,14,15);5-9,13H,1-4H3;2*3-6,11H,1-2H3,(H,12,13,14);5-6H,1-4H3,(H,11,12);2-7,11H,1H3,(H,12,13);2*2-7,11H,1H3;2-6,9-10H,1H3;2*3-6,10H,1-2H3,(H,11,12);5-6,9H,3-4H2,1-2H3;5H,1-4H3,(H,9,10);2-3H,1H3,(H,5,6)
InChIKeyNHEDRHFVPMEZDL-UHFFFAOYSA-N
XLogP28.82
TPSA658.91 Ų
H-Bond Donors23
H-Bond Acceptors47
Rotatable Bonds36
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002895.75
LogP ≤ 528.82
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1047

Analyze 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide with MolForge

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Related Compounds

5-tert-butyl-N-methyl-1,2-oxazol-3-amine;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 157379786
5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 157652055
N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
CID 157813011
CID 159267702
CID 159267702
5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzenecarboximidamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 159511209
N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 160073822
5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 160092194
5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-methyl-1,3-benzothiazol-6-amine;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 160419862
N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
CID 160762198
N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methylaniline;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 160954482
5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 161071656
N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 161316916

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide (CID 159779485) is 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide is CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(=O)N(C)C)cc(C)n1.CNc1cc(C(=O)N2CCCC2)cc(C)n1.CNc1cc(C(C)(C)C)on1.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C(=O)NC2CCC2)c1.CNc1cccc(C(=O)NCC2CC2)c1.CNc1cccc(C2N=CN=N2)c1.CNc1ccon1.
What is the InChIKey of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is NHEDRHFVPMEZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2C12H16N2O.C12H18N2O.2C10H12N4O.C10H15N3O.C10H11N3.2C10H10N2S.C9H10N4.2C9H12N2O.C8H13N3.C8H14N2O.C4H6N2O/c1-9-7-10(8-11(13-2)14-9)12(16)15-5-3-4-6-15;1-13-11-7-2-4-9(8-11)12(15)14-10-5-3-6-10;1-13-11-4-2-3-10(7-11)12(15)14-8-9-5-6-9;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;2*1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-7-5-8(10(14)13(3)4)6-9(11-2)12-7;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;2*1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;2*1-10-8-5-3-4-7(6-8)9(12)11-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-8(2,3)6-5-7(9-4)10-11-6;1-5-4-2-3-7-6-4/h7-8H,3-6H2,1-2H3,(H,13,14);2,4,7-8,10,13H,3,5-6H2,1H3,(H,14,15);2-4,7,9,13H,5-6,8H2,1H3,(H,14,15);5-9,13H,1-4H3;2*3-6,11H,1-2H3,(H,12,13,14);5-6H,1-4H3,(H,11,12);2-7,11H,1H3,(H,12,13);2*2-7,11H,1H3;2-6,9-10H,1H3;2*3-6,10H,1-2H3,(H,11,12);5-6,9H,3-4H2,1-2H3;5H,1-4H3,(H,9,10);2-3H,1H3,(H,5,6).
What are the key properties of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide?
5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 2895.75 g/mol, XLogP of 28.82, 36 rotatable bonds, 23 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 159779485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).