5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline

C123H159ClN24O7S2 — CID 159578110

About 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline

5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline (PubChem CID 159578110) has the molecular formula C123H159ClN24O7S2 and a molecular weight of 2185.37 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline.

Molecular Properties

• Compound Name: 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline
• PubChem CID: 159578110
• Molecular Formula: C123H159ClN24O7S2
• Molecular Weight: 2185.37 g/mol
• Exact Mass: 2183.20
• IUPAC Name: 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline
• SMILES: C.C.C.CCc1cc(C(=O)OC)cc(C(C)(C)C)c1.CCc1cc(Cl)cc(C(=O)OC)c1.CCc1cccc(C#N)c1.CCc1cccc(C(=O)NC)c1.CNc1cc(C(C)(C)C)on1.CNc1cc(C)cc(-c2nnnn2C)c1.CNc1cc(C2CC2)nn1C.CNc1ccc2ncsc2c1.CNc1cccc(-c2ccccc2)c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1
• InChI: InChI=1S/C14H20O2.C13H13N.C10H11ClO2.C10H13N5.C10H12N4O.C10H11N3.C10H10N2S.C10H13NO.C9H9N.C8H13N3.C8H14N2O.C8H8N2S.3CH4/c1-6-10-7-11(13(15)16-5)9-12(8-10)14(2,3)4;1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-3-7-4-8(10(12)13-2)6-9(11)5-7;1-7-4-8(6-9(5-7)11-2)10-12-13-14-15(10)3;1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-3-8-5-4-6-9(7-8)10(12)11-2;1-2-8-4-3-5-9(6-8)7-10;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;1-9-6-2-3-7-8(4-6)11-5-10-7;;;/h7-9H,6H2,1-5H3;2-10,14H,1H3;4-6H,3H2,1-2H3;4-6,11H,1-3H3;3-6,11H,1-2H3,(H,12,13,14);2-7,11H,1H3,(H,12,13);2-7,11H,1H3;4-7H,3H2,1-2H3,(H,11,12);3-6H,2H2,1H3;5-6,9H,3-4H2,1-2H3;5H,1-4H3,(H,9,10);2-5,9H,1H3;3*1H4
• InChIKey: MIQWZLODXLTEBM-UHFFFAOYSA-N
• XLogP: 28.76
• TPSA: 394.59 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2185.37
LogP ≤ 5	28.76
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline?

The IUPAC name of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline (CID 159578110) is 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline.

What is the SMILES notation for 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline?

The canonical SMILES for 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline is C.C.C.CCc1cc(C(=O)OC)cc(C(C)(C)C)c1.CCc1cc(Cl)cc(C(=O)OC)c1.CCc1cccc(C#N)c1.CCc1cccc(C(=O)NC)c1.CNc1cc(C(C)(C)C)on1.CNc1cc(C)cc(-c2nnnn2C)c1.CNc1cc(C2CC2)nn1C.CNc1ccc2ncsc2c1.CNc1cccc(-c2ccccc2)c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.

What is the InChIKey of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline?

The InChIKey is MIQWZLODXLTEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C13H13N.C10H11ClO2.C10H13N5.C10H12N4O.C10H11N3.C10H10N2S.C10H13NO.C9H9N.C8H13N3.C8H14N2O.C8H8N2S.3CH4/c1-6-10-7-11(13(15)16-5)9-12(8-10)14(2,3)4;1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-3-7-4-8(10(12)13-2)6-9(11)5-7;1-7-4-8(6-9(5-7)11-2)10-12-13-14-15(10)3;1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-3-8-5-4-6-9(7-8)10(12)11-2;1-2-8-4-3-5-9(6-8)7-10;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;1-9-6-2-3-7-8(4-6)11-5-10-7;;;/h7-9H,6H2,1-5H3;2-10,14H,1H3;4-6H,3H2,1-2H3;4-6,11H,1-3H3;3-6,11H,1-2H3,(H,12,13,14);2-7,11H,1H3,(H,12,13);2-7,11H,1H3;4-7H,3H2,1-2H3,(H,11,12);3-6H,2H2,1H3;5-6,9H,3-4H2,1-2H3;5H,1-4H3,(H,9,10);2-5,9H,1H3;3*1H4.

What are the key properties of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline?

5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline has a molecular weight of 2185.37 g/mol, XLogP of 28.76, 22 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-ethylbenzonitrile;3-ethyl-N-methylbenzamide;methane;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-phenylaniline;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 159578110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).