N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

C36H46N4O4 — CID 56640175

About N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 56640175) has the molecular formula C36H46N4O4 and a molecular weight of 598.79 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 56640175
• Molecular Formula: C36H46N4O4
• Molecular Weight: 598.79 g/mol
• Exact Mass: 598.35
• IUPAC Name: N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC(c2cccc(-c3ccccc3)c2)CC1
• InChI: InChI=1S/C36H46N4O4/c1-3-25(2)33(39-34(41)31(23-26-11-6-4-7-12-26)38-35(42)32-17-20-37-44-32)36(43)40-21-18-28(19-22-40)30-16-10-15-29(24-30)27-13-8-5-9-14-27/h5,8-10,13-17,20,24-26,28,31,33H,3-4,6-7,11-12,18-19,21-23H2,1-2H3,(H,38,42)(H,39,41)/t25-,31-,33-/m0/s1
• InChIKey: RHARCWNANHGLFD-WLEXQLNHSA-N
• XLogP: 6.35
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.79
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (CID 56640175) is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC(c2cccc(-c3ccccc3)c2)CC1.

What is the InChIKey of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is RHARCWNANHGLFD-WLEXQLNHSA-N. The full InChI is InChI=1S/C36H46N4O4/c1-3-25(2)33(39-34(41)31(23-26-11-6-4-7-12-26)38-35(42)32-17-20-37-44-32)36(43)40-21-18-28(19-22-40)30-16-10-15-29(24-30)27-13-8-5-9-14-27/h5,8-10,13-17,20,24-26,28,31,33H,3-4,6-7,11-12,18-19,21-23H2,1-2H3,(H,38,42)(H,39,41)/t25-,31-,33-/m0/s1.

What are the key properties of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?

N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 598.79 g/mol, XLogP of 6.35, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56640175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).