4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

C33H45N5O8 — CID 140699584

About 4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 140699584) has the molecular formula C33H45N5O8 and a molecular weight of 639.75 g/mol. Its IUPAC name is 4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
• PubChem CID: 140699584
• Molecular Formula: C33H45N5O8
• Molecular Weight: 639.75 g/mol
• Exact Mass: 639.33
• IUPAC Name: 4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
• SMILES: COc1ccc(C[C@H](NC(=O)[C@H](CN2CCOCC2)c2c(C)noc2C(N)=O)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1
• InChI: InChI=1S/C33H45N5O8/c1-20-27(28(30(34)40)46-37-20)24(18-38-12-14-44-15-13-38)31(41)36-26(17-22-8-10-23(43-3)11-9-22)32(42)35-25(16-21-6-4-5-7-21)29(39)33(2)19-45-33/h8-11,21,24-26H,4-7,12-19H2,1-3H3,(H2,34,40)(H,35,42)(H,36,41)/t24-,25+,26+,33-/m1/s1
• InChIKey: WWJREYBHSPWPLN-PHAQOQMTSA-N
• XLogP: 1.66
• TPSA: 178.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	639.75
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 140699584) is 4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.

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

The canonical SMILES for 4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is COc1ccc(C[C@H](NC(=O)[C@H](CN2CCOCC2)c2c(C)noc2C(N)=O)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.

What is the InChIKey of 4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?

The InChIKey is WWJREYBHSPWPLN-PHAQOQMTSA-N. The full InChI is InChI=1S/C33H45N5O8/c1-20-27(28(30(34)40)46-37-20)24(18-38-12-14-44-15-13-38)31(41)36-26(17-22-8-10-23(43-3)11-9-22)32(42)35-25(16-21-6-4-5-7-21)29(39)33(2)19-45-33/h8-11,21,24-26H,4-7,12-19H2,1-3H3,(H2,34,40)(H,35,42)(H,36,41)/t24-,25+,26+,33-/m1/s1.

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

4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 639.75 g/mol, XLogP of 1.66, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-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]-3-morpholin-4-yl-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 140699584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).