N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

C32H42N4O6 — CID 56640611

About N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-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-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 56640611) has the molecular formula C32H42N4O6 and a molecular weight of 578.71 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-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-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 56640611
• Molecular Formula: C32H42N4O6
• Molecular Weight: 578.71 g/mol
• Exact Mass: 578.31
• IUPAC Name: N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-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)N1CCC2(CC1)CC(=O)c1ccccc1O2
• InChI: InChI=1S/C32H42N4O6/c1-3-21(2)28(31(40)36-17-14-32(15-18-36)20-25(37)23-11-7-8-12-26(23)41-32)35-29(38)24(19-22-9-5-4-6-10-22)34-30(39)27-13-16-33-42-27/h7-8,11-13,16,21-22,24,28H,3-6,9-10,14-15,17-20H2,1-2H3,(H,34,39)(H,35,38)/t21-,24-,28-/m0/s1
• InChIKey: RTCASVSXCORETB-VSPOGIRPSA-N
• XLogP: 4.30
• TPSA: 130.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.71
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-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-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (CID 56640611) is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-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-oxospiro[3H-chromene-2,4'-piperidine]-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-oxospiro[3H-chromene-2,4'-piperidine]-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)N1CCC2(CC1)CC(=O)c1ccccc1O2.

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

The InChIKey is RTCASVSXCORETB-VSPOGIRPSA-N. The full InChI is InChI=1S/C32H42N4O6/c1-3-21(2)28(31(40)36-17-14-32(15-18-36)20-25(37)23-11-7-8-12-26(23)41-32)35-29(38)24(19-22-9-5-4-6-10-22)34-30(39)27-13-16-33-42-27/h7-8,11-13,16,21-22,24,28H,3-6,9-10,14-15,17-20H2,1-2H3,(H,34,39)(H,35,38)/t21-,24-,28-/m0/s1.

What are the key properties of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-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-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 578.71 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 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-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56640611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).