5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

C25H32N4O6S2 — CID 164627509

IUPAC5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCSC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C25H32N4O6S2/c1-15-10-18(29-35-15)22(31)27-20(13-37-4)24(33)28-19(12-36-3)23(32)26-17(21(30)25(2)14-34-25)11-16-8-6-5-7-9-16/h5-10,17,19-20H,11-14H2,1-4H3,(H,26,32)(H,27,31)(H,28,33)/t17-,19-,20-,25+/m0/s1
InChIKeyHSDWJRVETQTMBL-YMGHSFPGSA-N
MW548.69 g/mol
LogP1.38
Rot. Bonds14

About 5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 164627509) has the molecular formula C25H32N4O6S2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID164627509
Molecular FormulaC25H32N4O6S2
Molecular Weight548.69 g/mol
Exact Mass548.18
IUPAC Name5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCSC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C25H32N4O6S2/c1-15-10-18(29-35-15)22(31)27-20(13-37-4)24(33)28-19(12-36-3)23(32)26-17(21(30)25(2)14-34-25)11-16-8-6-5-7-9-16/h5-10,17,19-20H,11-14H2,1-4H3,(H,26,32)(H,27,31)(H,28,33)/t17-,19-,20-,25+/m0/s1
InChIKeyHSDWJRVETQTMBL-YMGHSFPGSA-N
XLogP1.38
TPSA142.93 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.69
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (CID 164627509) is 5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is CSC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1.
What is the InChIKey of 5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is HSDWJRVETQTMBL-YMGHSFPGSA-N. The full InChI is InChI=1S/C25H32N4O6S2/c1-15-10-18(29-35-15)22(31)27-20(13-37-4)24(33)28-19(12-36-3)23(32)26-17(21(30)25(2)14-34-25)11-16-8-6-5-7-9-16/h5-10,17,19-20H,11-14H2,1-4H3,(H,26,32)(H,27,31)(H,28,33)/t17-,19-,20-,25+/m0/s1.
What are the key properties of 5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 548.69 g/mol, XLogP of 1.38, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164627509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).