N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide

C38H48N4O4 — CID 175695715

About N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide

N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide (PubChem CID 175695715) has the molecular formula C38H48N4O4 and a molecular weight of 624.83 g/mol. Its IUPAC name is N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide
• PubChem CID: 175695715
• Molecular Formula: C38H48N4O4
• Molecular Weight: 624.83 g/mol
• Exact Mass: 624.37
• IUPAC Name: N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C23CCC(CN(C(=O)C4CCC(N5CC(O)C5)CC4)c4cc(-c5cnc(C6CC6)o5)ccn4)(CC2)CC3)cc1C
• InChI: InChI=1S/C38H48N4O4/c1-25-19-29(7-10-32(25)45-2)38-15-12-37(13-16-38,14-17-38)24-42(36(44)27-5-8-30(9-6-27)41-22-31(43)23-41)34-20-28(11-18-39-34)33-21-40-35(46-33)26-3-4-26/h7,10-11,18-21,26-27,30-31,43H,3-6,8-9,12-17,22-24H2,1-2H3
• InChIKey: QNEFCCAGJUENMY-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 91.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.83
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide?

The IUPAC name of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide (CID 175695715) is N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide.

What is the SMILES notation for N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide?

The canonical SMILES for N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide is COc1ccc(C23CCC(CN(C(=O)C4CCC(N5CC(O)C5)CC4)c4cc(-c5cnc(C6CC6)o5)ccn4)(CC2)CC3)cc1C.

What is the InChIKey of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide?

The InChIKey is QNEFCCAGJUENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N4O4/c1-25-19-29(7-10-32(25)45-2)38-15-12-37(13-16-38,14-17-38)24-42(36(44)27-5-8-30(9-6-27)41-22-31(43)23-41)34-20-28(11-18-39-34)33-21-40-35(46-33)26-3-4-26/h7,10-11,18-21,26-27,30-31,43H,3-6,8-9,12-17,22-24H2,1-2H3.

What are the key properties of N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide?

N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 624.83 g/mol, XLogP of 6.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)-2-pyridinyl]-4-(3-hydroxyazetidin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 175695715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).