4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one

C14H10FN3O2 — CID 51102937

IUPAC4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccn2)n1Cc1cccc(F)c1
InChIInChI=1S/C14H10FN3O2/c15-11-5-3-4-10(8-11)9-18-13(17-20-14(18)19)12-6-1-2-7-16-12/h1-8H,9H2
InChIKeyBWCWKUMPWRJOLM-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.09
Rot. Bonds3

About 4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one

4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 51102937) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
PubChem CID51102937
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccn2)n1Cc1cccc(F)c1
InChIInChI=1S/C14H10FN3O2/c15-11-5-3-4-10(8-11)9-18-13(17-20-14(18)19)12-6-1-2-7-16-12/h1-8H,9H2
InChIKeyBWCWKUMPWRJOLM-UHFFFAOYSA-N
XLogP2.09
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
CID 110005318
1-[(3-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 63279058
4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one
CID 135368973
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
CID 54683395
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 156596090
3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide
CID 71881498
1-[(3-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16951818
4-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682355
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289581
4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
CID 51106485

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one (CID 51102937) is 4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccn2)n1Cc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is BWCWKUMPWRJOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-11-5-3-4-10(8-11)9-18-13(17-20-14(18)19)12-6-1-2-7-16-12/h1-8H,9H2.
What are the key properties of 4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 271.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 51102937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).