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

C15H12FN3O2 — CID 135368973

IUPAC4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2ccccn2)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2/c16-12-6-4-11(5-7-12)10-19-14(18-21-15(19)20)9-13-3-1-2-8-17-13/h1-8H,9-10H2
InChIKeyIBFFCALKDJIYJB-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.01
Rot. Bonds4

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

4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one (PubChem CID 135368973) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one
PubChem CID135368973
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2ccccn2)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2/c16-12-6-4-11(5-7-12)10-19-14(18-21-15(19)20)9-13-3-1-2-8-17-13/h1-8H,9-10H2
InChIKeyIBFFCALKDJIYJB-UHFFFAOYSA-N
XLogP2.01
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
CID 142465639
3-[(2-chloro-4-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one;3-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 158771581
4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 155960734
5-[[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]methyl]-2-methoxybenzonitrile
CID 155959290
3-[(2-chloro-6-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-one
CID 135368950
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 155960735
3-[(2-chloro-6-fluorophenyl)methyl]-4-(pyrimidin-5-ylmethyl)-1,2,4-oxadiazol-5-one
CID 135369021
4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
CID 51102937
4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
CID 110005318
3-[2-(4-fluorophenyl)ethyl]-7-oxido-1-propyl-8-(pyridin-2-ylmethyl)purine-2,6-dione
CID 87766991
2-[(4-fluorophenyl)methyl]-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine
CID 95809288
4-benzyl-3-methyl-1,2,4-oxadiazol-5-one
CID 15041338

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one (CID 135368973) is 4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one is O=c1onc(Cc2ccccn2)n1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one?
The InChIKey is IBFFCALKDJIYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-6-4-11(5-7-12)10-19-14(18-21-15(19)20)9-13-3-1-2-8-17-13/h1-8H,9-10H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one?
4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one has a molecular weight of 285.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135368973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).