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

C16H12F2N2O3 — CID 18098618

IUPAC3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(Cn2nc(-c3ccc(F)cc3)oc2=O)cc1F
InChIInChI=1S/C16H12F2N2O3/c1-22-14-7-2-10(8-13(14)18)9-20-16(21)23-15(19-20)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyDRYVJFSEOGOQGI-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.84
Rot. Bonds4

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

3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 18098618) has the molecular formula C16H12F2N2O3 and a molecular weight of 318.28 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID18098618
Molecular FormulaC16H12F2N2O3
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(Cn2nc(-c3ccc(F)cc3)oc2=O)cc1F
InChIInChI=1S/C16H12F2N2O3/c1-22-14-7-2-10(8-13(14)18)9-20-16(21)23-15(19-20)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyDRYVJFSEOGOQGI-UHFFFAOYSA-N
XLogP2.84
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 17474157
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 18139790
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 42891981
4-(bromomethyl)-6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 23102902
3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one
CID 18779842
3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 17448323
2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253718
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
CID 18099398
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
CID 9277247
3-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 39457425
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517
5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 37175464

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (CID 18098618) is 3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is COc1ccc(Cn2nc(-c3ccc(F)cc3)oc2=O)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is DRYVJFSEOGOQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3/c1-22-14-7-2-10(8-13(14)18)9-20-16(21)23-15(19-20)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 318.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 18098618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).