[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate

C15H16N2O4 — CID 16592228

IUPAC[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate
SMILESCC(CC(=O)OCC(=O)Nc1ccon1)c1ccccc1
InChIInChI=1S/C15H16N2O4/c1-11(12-5-3-2-4-6-12)9-15(19)20-10-14(18)16-13-7-8-21-17-13/h2-8,11H,9-10H2,1H3,(H,16,17,18)
InChIKeyNAMBSFUZPHKYSD-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.35
Rot. Bonds6

About [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate (PubChem CID 16592228) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate
PubChem CID16592228
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate
SMILESCC(CC(=O)OCC(=O)Nc1ccon1)c1ccccc1
InChIInChI=1S/C15H16N2O4/c1-11(12-5-3-2-4-6-12)9-15(19)20-10-14(18)16-13-7-8-21-17-13/h2-8,11H,9-10H2,1H3,(H,16,17,18)
InChIKeyNAMBSFUZPHKYSD-UHFFFAOYSA-N
XLogP2.35
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166
3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide
CID 104502578
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 16599847
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate
CID 7227751
[2-(2-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7266075
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7265751
[2-(3-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227987
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
CID 7265956
[2-(2-nitroanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228228
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228079
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227914

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate?
The IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate (CID 16592228) is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate.
What is the SMILES notation for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate?
The canonical SMILES for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate is CC(CC(=O)OCC(=O)Nc1ccon1)c1ccccc1.
What is the InChIKey of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate?
The InChIKey is NAMBSFUZPHKYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-11(12-5-3-2-4-6-12)9-15(19)20-10-14(18)16-13-7-8-21-17-13/h2-8,11H,9-10H2,1H3,(H,16,17,18).
What are the key properties of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate?
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate has a molecular weight of 288.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate is sourced from PubChem (CID 16592228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).