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

C16H12F2N2O2 — CID 135368867

IUPAC3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2ccc(F)cc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H12F2N2O2/c17-13-5-1-11(2-6-13)9-15-19-22-16(21)20(15)10-12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChIKeyRYDFBZNLVNKORF-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.75
Rot. Bonds4

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

3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135368867) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135368867
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2ccc(F)cc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H12F2N2O2/c17-13-5-1-11(2-6-13)9-15-19-22-16(21)20(15)10-12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChIKeyRYDFBZNLVNKORF-UHFFFAOYSA-N
XLogP2.75
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-Fluoro-phenyl)-5-oxo-[1,2,4]oxadiazol-4-ylmethyl]-benzonitrile
CID 6487481
4-Benzyl-3-[12-(4-benzyl-5-oxo-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazol-5-one
CID 45484659
2-[[3-(4-Fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]methyl]benzonitrile
CID 1434977
3-Benzyl-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazin-5-one
CID 132469984
3-Benzyl-4-[(3-fluorophenyl)methyl]-1,2,4-oxadiazin-5-one
CID 132470698
2-(3,4-Difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid
CID 22729449
3-(2-Fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one
CID 58578324
2-[(2,4-Difluorophenyl)methyl]-1-(phenylmethyl)-4,6(1H,5H)-pyrimidinedione
CID 69188830
2-[(3,4-Difluorophenyl)methyl]-1-(phenylmethyl)-4,6(1H,5H)-pyrimidinedione
CID 69189388
[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 87650476
3-(2-Fluorophenyl)-4-methyl-1,2,4-oxadiazol-5-one
CID 117711144
4-Benzyl-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368835

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (CID 135368867) is 3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(Cc2ccc(F)cc2)n1Cc1ccc(F)cc1.
What is the InChIKey of 3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is RYDFBZNLVNKORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c17-13-5-1-11(2-6-13)9-15-19-22-16(21)20(15)10-12-3-7-14(18)8-4-12/h1-8H,9-10H2.
What are the key properties of 3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 302.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135368867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).