[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate

C13H12N2O4 — CID 787305

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C13H12N2O4/c1-8-7-12(15-19-8)14-13(17)10-5-3-4-6-11(10)18-9(2)16/h3-7H,1-2H3,(H,14,15,17)
InChIKeyCJRASTFOTPVDEP-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.16
Rot. Bonds3

About [2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate

[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate (PubChem CID 787305) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate
PubChem CID787305
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C13H12N2O4/c1-8-7-12(15-19-8)14-13(17)10-5-3-4-6-11(10)18-9(2)16/h3-7H,1-2H3,(H,14,15,17)
InChIKeyCJRASTFOTPVDEP-UHFFFAOYSA-N
XLogP2.16
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate (CID 787305) is [2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1cc(C)on1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate?
The InChIKey is CJRASTFOTPVDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-7-12(15-19-8)14-13(17)10-5-3-4-6-11(10)18-9(2)16/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate?
[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate has a molecular weight of 260.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 787305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).