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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-yl)aniline

C137H165N39O6S3 — CID 159169964

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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-yl)aniline (PubChem CID 159169964) has the molecular formula C137H165N39O6S3 and a molecular weight of 2550.29 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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-yl)aniline
• PubChem CID: 159169964
• Molecular Formula: C137H165N39O6S3
• Molecular Weight: 2550.29 g/mol
• Exact Mass: 2548.30
• 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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-yl)aniline
• SMILES: CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(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(-c2cscn2)c1.CNc1cccc(-c2ncn[nH]2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C#N)c1.CNc1ccoc1
• InChI: InChI=1S/C13H13N.C10H13N5.2C10H12N4O.C10H11N3.2C10H10N2S.C9H10N4.2C9H12N2O.C8H13N3.C8H14N2O.C8H8N2S.C8H8N2.C5H7NO/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-7-4-8(6-9(5-7)11-2)10-12-13-14-15(10)3;2*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;1-10-8-4-2-3-7(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;1-9-6-2-3-7-8(4-6)11-5-10-7;1-10-8-4-2-3-7(5-8)6-9;1-6-5-2-3-7-4-5/h2-10,14H,1H3;4-6,11H,1-3H3;2*3-6,11H,1-2H3,(H,12,13,14);2-7,11H,1H3,(H,12,13);2*2-7,11H,1H3;2-6,10H,1H3,(H,11,12,13);2*3-6,10H,1-2H3,(H,11,12);5-6,9H,3-4H2,1-2H3;5H,1-4H3,(H,9,10);2-5,9H,1H3;2-5,10H,1H3;2-4,6H,1H3
• InChIKey: KLOFMVYSUOOAQE-UHFFFAOYSA-N
• XLogP: 28.39
• TPSA: 573.85 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 44
• Rotatable Bonds: 28
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2550.29
LogP ≤ 5	28.39
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	44

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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-yl)aniline (CID 159169964) 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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-yl)aniline is CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(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(-c2cscn2)c1.CNc1cccc(-c2ncn[nH]2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C#N)c1.CNc1ccoc1.

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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-yl)aniline?

The InChIKey is KLOFMVYSUOOAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C10H13N5.2C10H12N4O.C10H11N3.2C10H10N2S.C9H10N4.2C9H12N2O.C8H13N3.C8H14N2O.C8H8N2S.C8H8N2.C5H7NO/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-7-4-8(6-9(5-7)11-2)10-12-13-14-15(10)3;2*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;1-10-8-4-2-3-7(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;1-9-6-2-3-7-8(4-6)11-5-10-7;1-10-8-4-2-3-7(5-8)6-9;1-6-5-2-3-7-4-5/h2-10,14H,1H3;4-6,11H,1-3H3;2*3-6,11H,1-2H3,(H,12,13,14);2-7,11H,1H3,(H,12,13);2*2-7,11H,1H3;2-6,10H,1H3,(H,11,12,13);2*3-6,10H,1-2H3,(H,11,12);5-6,9H,3-4H2,1-2H3;5H,1-4H3,(H,9,10);2-5,9H,1H3;2-5,10H,1H3;2-4,6H,1H3.

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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-yl)aniline has a molecular weight of 2550.29 g/mol, XLogP of 28.39, 28 rotatable bonds, 21 hydrogen bond donors, and 44 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-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);bis(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-(1H-1,2,4-triazol-5-yl)aniline is sourced from PubChem (CID 159169964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).