4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

C29H38N4O7 — CID 140699603

About 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 140699603) has the molecular formula C29H38N4O7 and a molecular weight of 554.64 g/mol. Its IUPAC name is 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
• PubChem CID: 140699603
• Molecular Formula: C29H38N4O7
• Molecular Weight: 554.64 g/mol
• Exact Mass: 554.27
• IUPAC Name: 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
• SMILES: COc1ccc(C[C@H](NC(=O)[C@H](C)c2c(C)noc2C(N)=O)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1
• InChI: InChI=1S/C29H38N4O7/c1-16(23-17(2)33-40-24(23)26(30)35)27(36)32-22(14-19-9-11-20(38-4)12-10-19)28(37)31-21(13-18-7-5-6-8-18)25(34)29(3)15-39-29/h9-12,16,18,21-22H,5-8,13-15H2,1-4H3,(H2,30,35)(H,31,37)(H,32,36)/t16-,21+,22+,29-/m1/s1
• InChIKey: MJNZEQZAWBEOLO-TXLBIECOSA-N
• XLogP: 2.34
• TPSA: 166.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.64
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?

The IUPAC name of 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 140699603) is 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?

The canonical SMILES for 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is COc1ccc(C[C@H](NC(=O)[C@H](C)c2c(C)noc2C(N)=O)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.

What is the InChIKey of 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?

The InChIKey is MJNZEQZAWBEOLO-TXLBIECOSA-N. The full InChI is InChI=1S/C29H38N4O7/c1-16(23-17(2)33-40-24(23)26(30)35)27(36)32-22(14-19-9-11-20(38-4)12-10-19)28(37)31-21(13-18-7-5-6-8-18)25(34)29(3)15-39-29/h9-12,16,18,21-22H,5-8,13-15H2,1-4H3,(H2,30,35)(H,31,37)(H,32,36)/t16-,21+,22+,29-/m1/s1.

What are the key properties of 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?

4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 554.64 g/mol, XLogP of 2.34, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 140699603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).