(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone

C17H13FN2O3 — CID 9109074

IUPAC(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone
SMILESCc1nnc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)o1
InChIInChI=1S/C17H13FN2O3/c1-11-19-20-16(23-11)10-22-15-8-4-13(5-9-15)17(21)12-2-6-14(18)7-3-12/h2-9H,10H2,1H3
InChIKeyVEGVJOLUKVVKPL-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.33
Rot. Bonds5

About (4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone

(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone (PubChem CID 9109074) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone
PubChem CID9109074
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone
SMILESCc1nnc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)o1
InChIInChI=1S/C17H13FN2O3/c1-11-19-20-16(23-11)10-22-15-8-4-13(5-9-15)17(21)12-2-6-14(18)7-3-12/h2-9H,10H2,1H3
InChIKeyVEGVJOLUKVVKPL-UHFFFAOYSA-N
XLogP3.33
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495260
1-[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-2-yl]ethanone
CID 71978689
2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 110655535
(4-fluorophenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 18192008
2-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 60627683
1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782376
4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 166210314
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
(1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 107720562
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one
CID 28782339
3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid
CID 79800146
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone (CID 9109074) is (4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone is Cc1nnc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)o1.
What is the InChIKey of (4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone?
The InChIKey is VEGVJOLUKVVKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-11-19-20-16(23-11)10-22-15-8-4-13(5-9-15)17(21)12-2-6-14(18)7-3-12/h2-9H,10H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone?
(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone has a molecular weight of 312.30 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 9109074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).