3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole

C19H16FN5O2 — CID 53170175

IUPAC3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3nnn(Cc4cccc(F)c4)c3C)no2)cc1
InChIInChI=1S/C19H16FN5O2/c1-12-17(22-24-25(12)11-13-4-3-5-15(20)10-13)18-21-19(27-23-18)14-6-8-16(26-2)9-7-14/h3-10H,11H2,1-2H3
InChIKeyZMDQWJYKGNLPFY-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.50
Rot. Bonds5

About 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole

3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 53170175) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID53170175
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3nnn(Cc4cccc(F)c4)c3C)no2)cc1
InChIInChI=1S/C19H16FN5O2/c1-12-17(22-24-25(12)11-13-4-3-5-15(20)10-13)18-21-19(27-23-18)14-6-8-16(26-2)9-7-14/h3-10H,11H2,1-2H3
InChIKeyZMDQWJYKGNLPFY-UHFFFAOYSA-N
XLogP3.50
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 53170175) is 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3nnn(Cc4cccc(F)c4)c3C)no2)cc1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is ZMDQWJYKGNLPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-12-17(22-24-25(12)11-13-4-3-5-15(20)10-13)18-21-19(27-23-18)14-6-8-16(26-2)9-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 365.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53170175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).