[3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate

C13H10ClNO5 — CID 14894097

IUPAC[3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate
SMILESCC(=O)OC1OC(=O)C2C(c3ccccc3Cl)=NOC12
InChIInChI=1S/C13H10ClNO5/c1-6(16)18-13-11-9(12(17)19-13)10(15-20-11)7-4-2-3-5-8(7)14/h2-5,9,11,13H,1H3
InChIKeyHLRDSFZABDNFPS-UHFFFAOYSA-N
MW295.68 g/mol
LogP1.51
Rot. Bonds2

About [3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate

[3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate (PubChem CID 14894097) has the molecular formula C13H10ClNO5 and a molecular weight of 295.68 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate
PubChem CID14894097
Molecular FormulaC13H10ClNO5
Molecular Weight295.68 g/mol
Exact Mass295.02
IUPAC Name[3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate
SMILESCC(=O)OC1OC(=O)C2C(c3ccccc3Cl)=NOC12
InChIInChI=1S/C13H10ClNO5/c1-6(16)18-13-11-9(12(17)19-13)10(15-20-11)7-4-2-3-5-8(7)14/h2-5,9,11,13H,1H3
InChIKeyHLRDSFZABDNFPS-UHFFFAOYSA-N
XLogP1.51
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,6S,6aS)-6-ethoxy-3-(4-fluorophenyl)-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-4-one
CID 11969891
6-Ethoxy-3-(4-fluorophenyl)-6,6a-dihydrofuro[3,4-d]isoxazol-4(3aH)-one
CID 494866
3-Phenyl-4-oxo-6-acetoxy-3a,4,6,6a-tetrahydrofuro[3,4-d]-isoxazole
CID 14894096
3-(4-Methylphenyl)-4-oxo-6-acetoxy-3a,4,6,6a-tetrahydrofuro[3,4-d]-isoxazole
CID 14894100
(3aR,6R,6aS)-6-ethoxy-3-(4-fluorophenyl)-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-4-one
CID 92282404
(3aR,6S,6aR)-6-ethoxy-3-(4-fluorophenyl)-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-4-one
CID 92340118
(3aR,6R,6aR)-6-ethoxy-3-(4-fluorophenyl)-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-4-one
CID 92340119
6-Ethoxy-3-phenyl-6,6a-dihydrofuro[3,4-d]isoxazol-4(3aH)-one
CID 494864
3-(4-Chlorophenyl)-6-ethoxy-6,6a-dihydrofuro[3,4-d]isoxazol-4(3aH)-one
CID 494865
3-(2-Chlorophenyl)-6-ethoxy-6,6a-dihydrofuro[3,4-d]isoxazol-4(3aH)-one
CID 494867
3-(2,4-Dichlorophenyl)-6-ethoxy-6,6a-dihydrofuro[3,4-d]isoxazol-4(3aH)-one
CID 494868
(3aS,6R,6aR)-6-ethoxy-3-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-4-one
CID 11969889

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate?
The IUPAC name of [3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate (CID 14894097) is [3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate.
What is the SMILES notation for [3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate?
The canonical SMILES for [3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate is CC(=O)OC1OC(=O)C2C(c3ccccc3Cl)=NOC12.
What is the InChIKey of [3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate?
The InChIKey is HLRDSFZABDNFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO5/c1-6(16)18-13-11-9(12(17)19-13)10(15-20-11)7-4-2-3-5-8(7)14/h2-5,9,11,13H,1H3.
What are the key properties of [3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate?
[3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate has a molecular weight of 295.68 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate is sourced from PubChem (CID 14894097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).