4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one

C16H12FNO3 — CID 2810906

IUPAC4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one
SMILESCOc1ccccc1-n1c(-c2ccc(F)cc2)coc1=O
InChIInChI=1S/C16H12FNO3/c1-20-15-5-3-2-4-13(15)18-14(10-21-16(18)19)11-6-8-12(17)9-7-11/h2-10H,1H3
InChIKeyQIAZLAMZVBDHGZ-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.25
Rot. Bonds3

About 4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one

4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one (PubChem CID 2810906) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one
PubChem CID2810906
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one
SMILESCOc1ccccc1-n1c(-c2ccc(F)cc2)coc1=O
InChIInChI=1S/C16H12FNO3/c1-20-15-5-3-2-4-13(15)18-14(10-21-16(18)19)11-6-8-12(17)9-7-11/h2-10H,1H3
InChIKeyQIAZLAMZVBDHGZ-UHFFFAOYSA-N
XLogP3.25
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
LR 511
CID 68696
3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
Psb-12054
CID 60168729
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-[(3-Fluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 8071109
1-[4-(4-Fluoro-phenyl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 10593421
(3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate
CID 2127543
3-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2(3H)-one
CID 2147692
N-(2-Methoxyphenyl)Cinnamamide
CID 732134
3-Phenethyl-3H-benzooxazol-2-one
CID 651817

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one?
The IUPAC name of 4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one (CID 2810906) is 4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one is COc1ccccc1-n1c(-c2ccc(F)cc2)coc1=O.
What is the InChIKey of 4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one?
The InChIKey is QIAZLAMZVBDHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-20-15-5-3-2-4-13(15)18-14(10-21-16(18)19)11-6-8-12(17)9-7-11/h2-10H,1H3.
What are the key properties of 4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one?
4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one has a molecular weight of 285.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,3-oxazol-2-one is sourced from PubChem (CID 2810906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).