3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one

C9H7FN2O2 — CID 137303591

IUPAC3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(C(F)c2ccccc2)no1
InChIInChI=1S/C9H7FN2O2/c10-7(6-4-2-1-3-5-6)8-11-9(13)14-12-8/h1-5,7H,(H,11,12,13)
InChIKeyHDLSBWPJWYSKEE-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.42
Rot. Bonds2

About 3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one

3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 137303591) has the molecular formula C9H7FN2O2 and a molecular weight of 194.17 g/mol. Its IUPAC name is 3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID137303591
Molecular FormulaC9H7FN2O2
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(C(F)c2ccccc2)no1
InChIInChI=1S/C9H7FN2O2/c10-7(6-4-2-1-3-5-6)8-11-9(13)14-12-8/h1-5,7H,(H,11,12,13)
InChIKeyHDLSBWPJWYSKEE-UHFFFAOYSA-N
XLogP1.42
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-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

Related Compounds

3-Phenyl-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135418577
3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-ol
CID 135480523
(5-Hydroxy-1,2,4-oxadiazol-3-yl)(phenyl)methanone oxime
CID 135411400
3-Benzyl-1,2,4-oxadiazol-5(2H)-one
CID 135677617
3-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-4H-1,2,4-oxadiazol-5-one
CID 135487511
3-(3-Methylbenzyl)-1,2,4-oxadiazol-5(4H)-one
CID 136072239
3-Phenethyl-1,2,4-oxadiazol-5(4H)-one
CID 136117028
3-(2-phenylethyl)-4H-1,2,4-thiadiazol-5-one
CID 137224948
3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-ol
CID 136165594
3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazole-5(4H)-one
CID 135507040
3-(2-Chloro-6-fluorobenzyl)-1,2,4-oxadiazol-5(4H)-one
CID 136043716
3-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-ol
CID 136044774

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one (CID 137303591) is 3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(C(F)c2ccccc2)no1.
What is the InChIKey of 3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is HDLSBWPJWYSKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-7(6-4-2-1-3-5-6)8-11-9(13)14-12-8/h1-5,7H,(H,11,12,13).
What are the key properties of 3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one?
3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 194.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 137303591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).