N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide

C27H29F2N5O3 — CID 138676437

About N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide

N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 138676437) has the molecular formula C27H29F2N5O3 and a molecular weight of 509.56 g/mol. Its IUPAC name is N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide
• PubChem CID: 138676437
• Molecular Formula: C27H29F2N5O3
• Molecular Weight: 509.56 g/mol
• Exact Mass: 509.22
• IUPAC Name: N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide
• SMILES: C[C@@H](NC(=O)[C@@H]1CN(CC2CC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)no1)c1ccccn1
• InChI: InChI=1S/C27H29F2N5O3/c1-16(22-4-2-3-10-30-22)31-26(35)20-15-34(14-17-5-6-17)11-9-23(20)32-27(36)25-13-24(33-37-25)19-8-7-18(28)12-21(19)29/h2-4,7-8,10,12-13,16-17,20,23H,5-6,9,11,14-15H2,1H3,(H,31,35)(H,32,36)/t16-,20-,23-/m1/s1
• InChIKey: AEYAATKPYZOMBU-AYPBNUJASA-N
• XLogP: 3.72
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.56
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide (CID 138676437) is N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide is C[C@@H](NC(=O)[C@@H]1CN(CC2CC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)no1)c1ccccn1.

What is the InChIKey of N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?

The InChIKey is AEYAATKPYZOMBU-AYPBNUJASA-N. The full InChI is InChI=1S/C27H29F2N5O3/c1-16(22-4-2-3-10-30-22)31-26(35)20-15-34(14-17-5-6-17)11-9-23(20)32-27(36)25-13-24(33-37-25)19-8-7-18(28)12-21(19)29/h2-4,7-8,10,12-13,16-17,20,23H,5-6,9,11,14-15H2,1H3,(H,31,35)(H,32,36)/t16-,20-,23-/m1/s1.

What are the key properties of N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?

N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 509.56 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R)-1-(cyclopropylmethyl)-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 138676437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).