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

C133H163N39O6S3 — CID 157379786

About 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

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 (PubChem CID 157379786) has the molecular formula C133H163N39O6S3 and a molecular weight of 2500.23 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157379786
• Molecular Formula: C133H163N39O6S3
• Molecular Weight: 2500.23 g/mol
• Exact Mass: 2498.28
• IUPAC Name: 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
• SMILES: CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(C)(C)C)on1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1ccc2ncsc2c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2ccncc2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C#N)c1.CNc1cccc(C2N=CN=N2)c1.CNc1ccon1
• InChI: InChI=1S/C12H12N2.2C10H12N4O.C10H11N3.2C10H10N2S.C9H10N4.2C9H12N2O.2C8H13N3.C8H14N2O.C8H8N2S.C8H8N2.C4H6N2O/c1-13-12-4-2-3-11(9-12)10-5-7-14-8-6-10;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;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;1-5-4-2-3-7-6-4/h2-9,13H,1H3;2*3-6,11H,1-2H3,(H,12,13,14);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);2*5-6,9H,3-4H2,1-2H3;5H,1-4H3,(H,9,10);2-5,9H,1H3;2-5,10H,1H3;2-3H,1H3,(H,5,6)
• InChIKey: BKSXYSDXNPXJIG-UHFFFAOYSA-N
• XLogP: 28.00
• TPSA: 569.36 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 45
• Rotatable Bonds: 28
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2500.23
LogP ≤ 5	28.00
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(C)(C)C)on1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1ccc2ncsc2c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2ccncc2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C#N)c1.CNc1cccc(C2N=CN=N2)c1.CNc1ccon1.

What is the InChIKey of 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?

The InChIKey is BKSXYSDXNPXJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2C10H12N4O.C10H11N3.2C10H10N2S.C9H10N4.2C9H12N2O.2C8H13N3.C8H14N2O.C8H8N2S.C8H8N2.C4H6N2O/c1-13-12-4-2-3-11(9-12)10-5-7-14-8-6-10;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;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;1-5-4-2-3-7-6-4/h2-9,13H,1H3;2*3-6,11H,1-2H3,(H,12,13,14);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);2*5-6,9H,3-4H2,1-2H3;5H,1-4H3,(H,9,10);2-5,9H,1H3;2-5,10H,1H3;2-3H,1H3,(H,5,6).

What are the key properties of 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?

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 has a molecular weight of 2500.23 g/mol, XLogP of 28.00, 28 rotatable bonds, 20 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157379786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).