3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one

C13H10FNO3S — CID 42895645

IUPAC3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCCC1Sc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H10FNO3S/c14-9-3-1-8(2-4-9)10-7-15-13(18-10)19-11-5-6-17-12(11)16/h1-4,7,11H,5-6H2
InChIKeyGHOFJPNKAHUXIA-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.89
Rot. Bonds3

About 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one

3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one (PubChem CID 42895645) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one
PubChem CID42895645
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC Name3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCCC1Sc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H10FNO3S/c14-9-3-1-8(2-4-9)10-7-15-13(18-10)19-11-5-6-17-12(11)16/h1-4,7,11H,5-6H2
InChIKeyGHOFJPNKAHUXIA-UHFFFAOYSA-N
XLogP2.89
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one?
The IUPAC name of 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one (CID 42895645) is 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one?
The canonical SMILES for 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one is O=C1OCCC1Sc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one?
The InChIKey is GHOFJPNKAHUXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S/c14-9-3-1-8(2-4-9)10-7-15-13(18-10)19-11-5-6-17-12(11)16/h1-4,7,11H,5-6H2.
What are the key properties of 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one?
3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one has a molecular weight of 279.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one is sourced from PubChem (CID 42895645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).