1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide

C16H25N7O2 — CID 98370670

About 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide (PubChem CID 98370670) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
• PubChem CID: 98370670
• Molecular Formula: C16H25N7O2
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.21
• IUPAC Name: 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
• SMILES: CC(C)c1noc([C@H](C)NC(=O)c2cn(C3CCC(N)CC3)nn2)n1
• InChI: InChI=1S/C16H25N7O2/c1-9(2)14-19-16(25-21-14)10(3)18-15(24)13-8-23(22-20-13)12-6-4-11(17)5-7-12/h8-12H,4-7,17H2,1-3H3,(H,18,24)/t10-,11?,12?/m0/s1
• InChIKey: XJYIBQXOPSGPRN-UNXYVOJBSA-N
• XLogP: 1.72
• TPSA: 124.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide?

The IUPAC name of 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide (CID 98370670) is 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide.

What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide?

The canonical SMILES for 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide is CC(C)c1noc([C@H](C)NC(=O)c2cn(C3CCC(N)CC3)nn2)n1.

What is the InChIKey of 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide?

The InChIKey is XJYIBQXOPSGPRN-UNXYVOJBSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-9(2)14-19-16(25-21-14)10(3)18-15(24)13-8-23(22-20-13)12-6-4-11(17)5-7-12/h8-12H,4-7,17H2,1-3H3,(H,18,24)/t10-,11?,12?/m0/s1.

What are the key properties of 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide?

1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 98370670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).