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

C23H28N4O6S — CID 164614252

IUPAC5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCSC[C@H](NC(=O)c1cc(C)on1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C23H28N4O6S/c1-14-9-17(27-33-14)22(31)26-18(12-34-3)21(30)24-11-19(28)25-16(20(29)23(2)13-32-23)10-15-7-5-4-6-8-15/h4-9,16,18H,10-13H2,1-3H3,(H,24,30)(H,25,28)(H,26,31)/t16-,18-,23+/m0/s1
InChIKeyPFCGBSBLGKTTLF-TXBYWVTISA-N
MW488.57 g/mol
LogP0.65
Rot. Bonds12

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

5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 164614252) has the molecular formula C23H28N4O6S and a molecular weight of 488.57 g/mol. Its IUPAC name is 5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID164614252
Molecular FormulaC23H28N4O6S
Molecular Weight488.57 g/mol
Exact Mass488.17
IUPAC Name5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCSC[C@H](NC(=O)c1cc(C)on1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C23H28N4O6S/c1-14-9-17(27-33-14)22(31)26-18(12-34-3)21(30)24-11-19(28)25-16(20(29)23(2)13-32-23)10-15-7-5-4-6-8-15/h4-9,16,18H,10-13H2,1-3H3,(H,24,30)(H,25,28)(H,26,31)/t16-,18-,23+/m0/s1
InChIKeyPFCGBSBLGKTTLF-TXBYWVTISA-N
XLogP0.65
TPSA142.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]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-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (CID 164614252) is 5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is CSC[C@H](NC(=O)c1cc(C)on1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1.
What is the InChIKey of 5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is PFCGBSBLGKTTLF-TXBYWVTISA-N. The full InChI is InChI=1S/C23H28N4O6S/c1-14-9-17(27-33-14)22(31)26-18(12-34-3)21(30)24-11-19(28)25-16(20(29)23(2)13-32-23)10-15-7-5-4-6-8-15/h4-9,16,18H,10-13H2,1-3H3,(H,24,30)(H,25,28)(H,26,31)/t16-,18-,23+/m0/s1.
What are the key properties of 5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 0.65, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2R)-1-[[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164614252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).