2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C14H13NO4 — CID 55310658

IUPAC2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCC(=O)COC(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C14H13NO4/c1-9(16)8-18-14(17)12-10(2)19-13(15-12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyWQKKIPUUNDUOCW-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.40
Rot. Bonds4

About 2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 55310658) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID55310658
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCC(=O)COC(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C14H13NO4/c1-9(16)8-18-14(17)12-10(2)19-13(15-12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyWQKKIPUUNDUOCW-UHFFFAOYSA-N
XLogP2.40
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 46639103
[2-oxo-2-(4-phenylphenyl)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727475
2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 151350857
2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 71392848
[2-(4-acetylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727457
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726729
[2-oxo-2-(2-phenylanilino)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726467
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2668439
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727490
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727492
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364
[2-(3-methylbutylamino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2665390

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of 2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 55310658) is 2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for 2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for 2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is CC(=O)COC(=O)c1nc(-c2ccccc2)oc1C.
What is the InChIKey of 2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is WQKKIPUUNDUOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9(16)8-18-14(17)12-10(2)19-13(15-12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 55310658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).