[3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone

C18H15FN4O2 — CID 131701911

IUPAC[3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(n2nccn2)C1
InChIInChI=1S/C18H15FN4O2/c19-14-4-6-16(7-5-14)25-17-3-1-2-13(10-17)18(24)22-11-15(12-22)23-20-8-9-21-23/h1-10,15H,11-12H2
InChIKeyWKVGZYUCGVZRHX-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.91
Rot. Bonds4

About [3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone

[3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone (PubChem CID 131701911) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is [3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone
PubChem CID131701911
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name[3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(n2nccn2)C1
InChIInChI=1S/C18H15FN4O2/c19-14-4-6-16(7-5-14)25-17-3-1-2-13(10-17)18(24)22-11-15(12-22)23-20-8-9-21-23/h1-10,15H,11-12H2
InChIKeyWKVGZYUCGVZRHX-UHFFFAOYSA-N
XLogP2.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 91814780
3-[3-(triazol-2-yl)azetidine-1-carbonyl]benzonitrile
CID 131701888
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-phenoxyphenyl)methanone
CID 120655666
[3-(4-fluorophenoxy)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586932
[3-(4-fluorophenoxy)phenyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334469
(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124759378
[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone
CID 71730904
[3-(4-fluorophenoxy)phenyl]-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336790
(3S,4S)-1-(3-phenoxybenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951795
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone
CID 122334178
[3-(4-fluorophenoxy)phenyl]-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332411
3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017262

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone (CID 131701911) is [3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone is O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(n2nccn2)C1.
What is the InChIKey of [3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone?
The InChIKey is WKVGZYUCGVZRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-14-4-6-16(7-5-14)25-17-3-1-2-13(10-17)18(24)22-11-15(12-22)23-20-8-9-21-23/h1-10,15H,11-12H2.
What are the key properties of [3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone?
[3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone has a molecular weight of 338.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 131701911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).