5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole

C15H10FN5O — CID 53172559

IUPAC5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole
SMILESCn1nnc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc21
InChIInChI=1S/C15H10FN5O/c1-21-13-8-10(4-7-12(13)18-20-21)14-17-15(22-19-14)9-2-5-11(16)6-3-9/h2-8H,1H3
InChIKeyMZDVLMVETSEOOO-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.82
Rot. Bonds2

About 5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole

5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53172559) has the molecular formula C15H10FN5O and a molecular weight of 295.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole
PubChem CID53172559
Molecular FormulaC15H10FN5O
Molecular Weight295.28 g/mol
Exact Mass295.09
IUPAC Name5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole
SMILESCn1nnc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc21
InChIInChI=1S/C15H10FN5O/c1-21-13-8-10(4-7-12(13)18-20-21)14-17-15(22-19-14)9-2-5-11(16)6-3-9/h2-8H,1H3
InChIKeyMZDVLMVETSEOOO-UHFFFAOYSA-N
XLogP2.82
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole (CID 53172559) is 5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole is Cn1nnc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc21.
What is the InChIKey of 5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is MZDVLMVETSEOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O/c1-21-13-8-10(4-7-12(13)18-20-21)14-17-15(22-19-14)9-2-5-11(16)6-3-9/h2-8H,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 295.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53172559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).