2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate

C11H11NO4 — CID 142790595

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate
SMILESCC(=O)OCCn1c(=O)oc2ccccc21
InChIInChI=1S/C11H11NO4/c1-8(13)15-7-6-12-9-4-2-3-5-10(9)16-11(12)14/h2-5H,6-7H2,1H3
InChIKeySRVGICQWNZQCOA-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.16
Rot. Bonds3

About 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate

2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate (PubChem CID 142790595) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate
PubChem CID142790595
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate
SMILESCC(=O)OCCn1c(=O)oc2ccccc21
InChIInChI=1S/C11H11NO4/c1-8(13)15-7-6-12-9-4-2-3-5-10(9)16-11(12)14/h2-5H,6-7H2,1H3
InChIKeySRVGICQWNZQCOA-UHFFFAOYSA-N
XLogP1.16
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)ethyl 3-methyl-2-phenylpentanoate
CID 55569185
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl methanesulfonate
CID 19418949
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl 3-methyl-3-phenylcyclobutane-1-carboxylate
CID 166372237
2,2-dimethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanethioamide
CID 65248701
3-ethoxy-3-oxo-2-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methyl]propanoic acid
CID 10179028
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
3-(5-bromopentyl)-1,3-benzoxazol-2-one
CID 24806895
diethyl 2-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]propanedioate
CID 10295973
[(2R)-1-amino-1-oxopropan-2-yl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 41240288
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
3-(6-amino-5,5-dimethylhexyl)-1,3-benzoxazol-2-one
CID 106708351
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate (CID 142790595) is 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate is CC(=O)OCCn1c(=O)oc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate?
The InChIKey is SRVGICQWNZQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-8(13)15-7-6-12-9-4-2-3-5-10(9)16-11(12)14/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate?
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate has a molecular weight of 221.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate is sourced from PubChem (CID 142790595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).