N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

C24H33N3O3 — CID 95811596

About N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 95811596) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 95811596
• Molecular Formula: C24H33N3O3
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.25
• IUPAC Name: N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
• SMILES: COc1cccc(CCN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1
• InChI: InChI=1S/C24H33N3O3/c1-29-21-11-5-7-18(15-21)12-14-27-13-6-8-19(17-27)22-16-23(30-26-22)24(28)25-20-9-3-2-4-10-20/h5,7,11,15-16,19-20H,2-4,6,8-10,12-14,17H2,1H3,(H,25,28)/t19-/m0/s1
• InChIKey: WMHJNFNJQGRZOZ-IBGZPJMESA-N
• XLogP: 4.17
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 95811596) is N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is COc1cccc(CCN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1.

What is the InChIKey of N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is WMHJNFNJQGRZOZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H33N3O3/c1-29-21-11-5-7-18(15-21)12-14-27-13-6-8-19(17-27)22-16-23(30-26-22)24(28)25-20-9-3-2-4-10-20/h5,7,11,15-16,19-20H,2-4,6,8-10,12-14,17H2,1H3,(H,25,28)/t19-/m0/s1.

What are the key properties of N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95811596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).