N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C30H35F2N5O3 — CID 164607308

About N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 164607308) has the molecular formula C30H35F2N5O3 and a molecular weight of 551.64 g/mol. Its IUPAC name is N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 164607308
• Molecular Formula: C30H35F2N5O3
• Molecular Weight: 551.64 g/mol
• Exact Mass: 551.27
• IUPAC Name: N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
• SMILES: Cc1cccc([C@@H](C)NC(=O)[C@@H]2CN(C3CCCCC3)CC[C@@H]2NC(=O)c2cc(-c3ccc(F)cc3F)on2)n1
• InChI: InChI=1S/C30H35F2N5O3/c1-18-7-6-10-25(33-18)19(2)34-29(38)23-17-37(21-8-4-3-5-9-21)14-13-26(23)35-30(39)27-16-28(40-36-27)22-12-11-20(31)15-24(22)32/h6-7,10-12,15-16,19,21,23,26H,3-5,8-9,13-14,17H2,1-2H3,(H,34,38)(H,35,39)/t19-,23-,26+/m1/s1
• InChIKey: BLEPRYMBVLQWPJ-RTGAMMJTSA-N
• XLogP: 4.95
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.64
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 164607308) is N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is Cc1cccc([C@@H](C)NC(=O)[C@@H]2CN(C3CCCCC3)CC[C@@H]2NC(=O)c2cc(-c3ccc(F)cc3F)on2)n1.

What is the InChIKey of N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

The InChIKey is BLEPRYMBVLQWPJ-RTGAMMJTSA-N. The full InChI is InChI=1S/C30H35F2N5O3/c1-18-7-6-10-25(33-18)19(2)34-29(38)23-17-37(21-8-4-3-5-9-21)14-13-26(23)35-30(39)27-16-28(40-36-27)22-12-11-20(31)15-24(22)32/h6-7,10-12,15-16,19,21,23,26H,3-5,8-9,13-14,17H2,1-2H3,(H,34,38)(H,35,39)/t19-,23-,26+/m1/s1.

What are the key properties of N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 551.64 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4S)-1-cyclohexyl-3-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164607308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).