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

C17H15N5O — CID 53172577

IUPAC3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole
SMILESCC(c1ccccc1)c1nc(-c2ccc3nnn(C)c3c2)no1
InChIInChI=1S/C17H15N5O/c1-11(12-6-4-3-5-7-12)17-18-16(20-23-17)13-8-9-14-15(10-13)22(2)21-19-14/h3-11H,1-2H3
InChIKeyDREVOHLHMJOCEY-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.17
Rot. Bonds3

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

3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole (PubChem CID 53172577) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole
PubChem CID53172577
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole
SMILESCC(c1ccccc1)c1nc(-c2ccc3nnn(C)c3c2)no1
InChIInChI=1S/C17H15N5O/c1-11(12-6-4-3-5-7-12)17-18-16(20-23-17)13-8-9-14-15(10-13)22(2)21-19-14/h3-11H,1-2H3
InChIKeyDREVOHLHMJOCEY-UHFFFAOYSA-N
XLogP3.17
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole (CID 53172577) is 3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole is CC(c1ccccc1)c1nc(-c2ccc3nnn(C)c3c2)no1.
What is the InChIKey of 3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole?
The InChIKey is DREVOHLHMJOCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11(12-6-4-3-5-7-12)17-18-16(20-23-17)13-8-9-14-15(10-13)22(2)21-19-14/h3-11H,1-2H3.
What are the key properties of 3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole?
3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole has a molecular weight of 305.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53172577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).