[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate

C19H23N3O5S — CID 7362583

IUPAC[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)CSCc1c(C)noc1C)c1ccccc1
InChIInChI=1S/C19H23N3O5S/c1-4-20-19(25)21-18(24)17(14-8-6-5-7-9-14)26-16(23)11-28-10-15-12(2)22-27-13(15)3/h5-9,17H,4,10-11H2,1-3H3,(H2,20,21,24,25)/t17-/m1/s1
InChIKeyGYHHGSQWXPWTIP-QGZVFWFLSA-N
MW405.48 g/mol
LogP2.65
Rot. Bonds8

About [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate (PubChem CID 7362583) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
PubChem CID7362583
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)CSCc1c(C)noc1C)c1ccccc1
InChIInChI=1S/C19H23N3O5S/c1-4-20-19(25)21-18(24)17(14-8-6-5-7-9-14)26-16(23)11-28-10-15-12(2)22-27-13(15)3/h5-9,17H,4,10-11H2,1-3H3,(H2,20,21,24,25)/t17-/m1/s1
InChIKeyGYHHGSQWXPWTIP-QGZVFWFLSA-N
XLogP2.65
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate with MolForge

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Related Compounds

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550447
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)acetate
CID 55358992
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 7875023
N-[2-(dimethylamino)-2-phenylethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 84603506
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-phenylbutyl)acetamide
CID 43017658
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide
CID 86985226
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 7362332
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7697638
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
CID 60623814
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2,6-dichlorophenyl)acetate
CID 7767333
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-2-phenylbutyl)acetamide
CID 86981270

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate (CID 7362583) is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate.
What is the SMILES notation for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The canonical SMILES for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate is CCNC(=O)NC(=O)[C@H](OC(=O)CSCc1c(C)noc1C)c1ccccc1.
What is the InChIKey of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The InChIKey is GYHHGSQWXPWTIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-4-20-19(25)21-18(24)17(14-8-6-5-7-9-14)26-16(23)11-28-10-15-12(2)22-27-13(15)3/h5-9,17H,4,10-11H2,1-3H3,(H2,20,21,24,25)/t17-/m1/s1.
What are the key properties of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate has a molecular weight of 405.48 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate is sourced from PubChem (CID 7362583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).