4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one

C14H11NO3 — CID 19756043

IUPAC4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESCc1occc1C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C14H11NO3/c1-9-11(7-8-17-9)12-14(16)18-13(15-12)10-5-3-2-4-6-10/h2-8,12H,1H3
InChIKeySEVXGHDEUPTJSS-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.63
Rot. Bonds2

About 4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one

4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 19756043) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID19756043
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESCc1occc1C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C14H11NO3/c1-9-11(7-8-17-9)12-14(16)18-13(15-12)10-5-3-2-4-6-10/h2-8,12H,1H3
InChIKeySEVXGHDEUPTJSS-UHFFFAOYSA-N
XLogP2.63
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-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 4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one (CID 19756043) is 4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one is Cc1occc1C1N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is SEVXGHDEUPTJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-9-11(7-8-17-9)12-14(16)18-13(15-12)10-5-3-2-4-6-10/h2-8,12H,1H3.
What are the key properties of 4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one?
4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 241.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19756043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).