2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole

C16H12N4O — CID 8560671

IUPAC2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole
SMILESc1ccc(-c2cnc(Cn3nnc4ccccc43)o2)cc1
InChIInChI=1S/C16H12N4O/c1-2-6-12(7-3-1)15-10-17-16(21-15)11-20-14-9-5-4-8-13(14)18-19-20/h1-10H,11H2
InChIKeyORFIXXWMSYSXGA-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.13
Rot. Bonds3

About 2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole

2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole (PubChem CID 8560671) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole
PubChem CID8560671
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole
SMILESc1ccc(-c2cnc(Cn3nnc4ccccc43)o2)cc1
InChIInChI=1S/C16H12N4O/c1-2-6-12(7-3-1)15-10-17-16(21-15)11-20-14-9-5-4-8-13(14)18-19-20/h1-10H,11H2
InChIKeyORFIXXWMSYSXGA-UHFFFAOYSA-N
XLogP3.13
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole?
The IUPAC name of 2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole (CID 8560671) is 2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole is c1ccc(-c2cnc(Cn3nnc4ccccc43)o2)cc1.
What is the InChIKey of 2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole?
The InChIKey is ORFIXXWMSYSXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-2-6-12(7-3-1)15-10-17-16(21-15)11-20-14-9-5-4-8-13(14)18-19-20/h1-10H,11H2.
What are the key properties of 2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole?
2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole has a molecular weight of 276.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 8560671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).