[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate

C21H20N2O5 — CID 8984574

IUPAC[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)Cc1noc2ccccc12
InChIInChI=1S/C21H20N2O5/c1-14(24)17(11-15-7-3-2-4-8-15)22-20(25)13-27-21(26)12-18-16-9-5-6-10-19(16)28-23-18/h2-10,17H,11-13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyJVFIBHHRWOFLNL-KRWDZBQOSA-N
MW380.40 g/mol
LogP2.23
Rot. Bonds8

About [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate (PubChem CID 8984574) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate
PubChem CID8984574
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)Cc1noc2ccccc12
InChIInChI=1S/C21H20N2O5/c1-14(24)17(11-15-7-3-2-4-8-15)22-20(25)13-27-21(26)12-18-16-9-5-6-10-19(16)28-23-18/h2-10,17H,11-13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyJVFIBHHRWOFLNL-KRWDZBQOSA-N
XLogP2.23
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985731
[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 55404714
2-(1,2-benzoxazol-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 52508728
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985766
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550418
[2-(2-methoxyanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982841
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995599
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8983462
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 9473469
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982732
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 9140307
[2-(2-cyanoanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982625

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The IUPAC name of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate (CID 8984574) is [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate is CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)Cc1noc2ccccc12.
What is the InChIKey of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The InChIKey is JVFIBHHRWOFLNL-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-14(24)17(11-15-7-3-2-4-8-15)22-20(25)13-27-21(26)12-18-16-9-5-6-10-19(16)28-23-18/h2-10,17H,11-13H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate?
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate has a molecular weight of 380.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate is sourced from PubChem (CID 8984574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).