5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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)

C137H167ClN30O9S3 — CID 162207821

About 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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)

5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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) (PubChem CID 162207821) has the molecular formula C137H167ClN30O9S3 and a molecular weight of 2509.70 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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).

Molecular Properties

• Compound Name: 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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)
• PubChem CID: 162207821
• Molecular Formula: C137H167ClN30O9S3
• Molecular Weight: 2509.70 g/mol
• Exact Mass: 2507.24
• IUPAC Name: 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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)
• SMILES: CCc1cc(C(=O)OC)cc(C(C)(C)C)c1.CCc1cc(C)cc(C(=O)OC)c1.CCc1cc(Cl)cc(C(=O)OC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(C)(C)C)on1.CNc1cc(C)cc(-c2nnnn2C)c1.CNc1ccc2ncsc2c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2ccncc2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C#N)c1.CNc1nc(C2CC2)nn1C
• InChI: InChI=1S/C14H20O2.C12H12N2.C11H14O2.C10H11ClO2.C10H13N5.C10H12N4O.C10H11N3.2C10H10N2S.C9H12N2O.C8H14N2O.C8H8N2S.C8H8N2.C7H12N4/c1-6-10-7-11(13(15)16-5)9-12(8-10)14(2,3)4;1-13-12-4-2-3-11(9-12)10-5-7-14-8-6-10;1-4-9-5-8(2)6-10(7-9)11(12)13-3;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;2*1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-5-3-4-7(6-8)9(12)11-2;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;1-10-8-4-2-3-7(5-8)6-9;1-8-7-9-6(5-3-4-5)10-11(7)2/h7-9H,6H2,1-5H3;2-9,13H,1H3;5-7H,4H2,1-3H3;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*2-7,11H,1H3;3-6,10H,1-2H3,(H,11,12);5H,1-4H3,(H,9,10);2-5,9H,1H3;2-5,10H,1H3;5H,3-4H2,1-2H3,(H,8,9,10)
• InChIKey: ZSLBDUMMKMVJKQ-UHFFFAOYSA-N
• XLogP: 29.80
• TPSA: 495.65 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2509.70
LogP ≤ 5	29.80
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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)?

The IUPAC name of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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) (CID 162207821) is 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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).

What is the SMILES notation for 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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)?

The canonical SMILES for 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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) is CCc1cc(C(=O)OC)cc(C(C)(C)C)c1.CCc1cc(C)cc(C(=O)OC)c1.CCc1cc(Cl)cc(C(=O)OC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(C)(C)C)on1.CNc1cc(C)cc(-c2nnnn2C)c1.CNc1ccc2ncsc2c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2ccncc2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C#N)c1.CNc1nc(C2CC2)nn1C.

What is the InChIKey of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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)?

The InChIKey is ZSLBDUMMKMVJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C12H12N2.C11H14O2.C10H11ClO2.C10H13N5.C10H12N4O.C10H11N3.2C10H10N2S.C9H12N2O.C8H14N2O.C8H8N2S.C8H8N2.C7H12N4/c1-6-10-7-11(13(15)16-5)9-12(8-10)14(2,3)4;1-13-12-4-2-3-11(9-12)10-5-7-14-8-6-10;1-4-9-5-8(2)6-10(7-9)11(12)13-3;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;2*1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-5-3-4-7(6-8)9(12)11-2;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;1-10-8-4-2-3-7(5-8)6-9;1-8-7-9-6(5-3-4-5)10-11(7)2/h7-9H,6H2,1-5H3;2-9,13H,1H3;5-7H,4H2,1-3H3;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*2-7,11H,1H3;3-6,10H,1-2H3,(H,11,12);5H,1-4H3,(H,9,10);2-5,9H,1H3;2-5,10H,1H3;5H,3-4H2,1-2H3,(H,8,9,10).

What are the key properties of 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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)?

5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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) has a molecular weight of 2509.70 g/mol, XLogP of 29.80, 26 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-methyl-1,2-oxazol-3-amine;5-cyclopropyl-N,2-dimethyl-1,2,4-triazol-3-amine;N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;methyl 3-ethyl-5-methylbenzoate;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-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) is sourced from PubChem (CID 162207821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).