1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide

C18H28N6O4S — CID 45181529

About 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide

1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 45181529) has the molecular formula C18H28N6O4S and a molecular weight of 424.53 g/mol. Its IUPAC name is 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
• PubChem CID: 45181529
• Molecular Formula: C18H28N6O4S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.19
• IUPAC Name: 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
• SMILES: Cc1noc(C)c1S(=O)(=O)N1CCCCC1CCn1cc(C(=O)NC(C)C)nn1
• InChI: InChI=1S/C18H28N6O4S/c1-12(2)19-18(25)16-11-23(22-20-16)10-8-15-7-5-6-9-24(15)29(26,27)17-13(3)21-28-14(17)4/h11-12,15H,5-10H2,1-4H3,(H,19,25)
• InChIKey: PGBRMAZFLSAYBL-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 123.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?

The IUPAC name of 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide (CID 45181529) is 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide.

What is the SMILES notation for 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?

The canonical SMILES for 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCCC1CCn1cc(C(=O)NC(C)C)nn1.

What is the InChIKey of 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?

The InChIKey is PGBRMAZFLSAYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O4S/c1-12(2)19-18(25)16-11-23(22-20-16)10-8-15-7-5-6-9-24(15)29(26,27)17-13(3)21-28-14(17)4/h11-12,15H,5-10H2,1-4H3,(H,19,25).

What are the key properties of 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?

1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 45181529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).