5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole

C15H16N4O — CID 72863899

IUPAC5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole
SMILESCc1nc(-c2cc(C)on2)n(CCc2ccccc2)n1
InChIInChI=1S/C15H16N4O/c1-11-10-14(18-20-11)15-16-12(2)17-19(15)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyLHJBXJPDUMTCPQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.79
Rot. Bonds4

About 5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole

5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole (PubChem CID 72863899) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole
PubChem CID72863899
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole
SMILESCc1nc(-c2cc(C)on2)n(CCc2ccccc2)n1
InChIInChI=1S/C15H16N4O/c1-11-10-14(18-20-11)15-16-12(2)17-19(15)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyLHJBXJPDUMTCPQ-UHFFFAOYSA-N
XLogP2.79
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole (CID 72863899) is 5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole is Cc1nc(-c2cc(C)on2)n(CCc2ccccc2)n1.
What is the InChIKey of 5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole?
The InChIKey is LHJBXJPDUMTCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-10-14(18-20-11)15-16-12(2)17-19(15)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole?
5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole has a molecular weight of 268.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[5-methyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 72863899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).