3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole

C19H11ClN6O — CID 71544322

IUPAC3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole
SMILESClc1ccccc1-c1noc2c(-c3cncnc3-n3nccn3)cccc12
InChIInChI=1S/C19H11ClN6O/c20-16-7-2-1-4-13(16)17-14-6-3-5-12(18(14)27-25-17)15-10-21-11-22-19(15)26-23-8-9-24-26/h1-11H
InChIKeyMMZOEOWRRBYQGX-UHFFFAOYSA-N
MW374.79 g/mol
LogP4.19
Rot. Bonds3

About 3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole

3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole (PubChem CID 71544322) has the molecular formula C19H11ClN6O and a molecular weight of 374.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole
PubChem CID71544322
Molecular FormulaC19H11ClN6O
Molecular Weight374.79 g/mol
Exact Mass374.07
IUPAC Name3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole
SMILESClc1ccccc1-c1noc2c(-c3cncnc3-n3nccn3)cccc12
InChIInChI=1S/C19H11ClN6O/c20-16-7-2-1-4-13(16)17-14-6-3-5-12(18(14)27-25-17)15-10-21-11-22-19(15)26-23-8-9-24-26/h1-11H
InChIKeyMMZOEOWRRBYQGX-UHFFFAOYSA-N
XLogP4.19
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole?
The IUPAC name of 3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole (CID 71544322) is 3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole.
What is the SMILES notation for 3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole?
The canonical SMILES for 3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole is Clc1ccccc1-c1noc2c(-c3cncnc3-n3nccn3)cccc12.
What is the InChIKey of 3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole?
The InChIKey is MMZOEOWRRBYQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN6O/c20-16-7-2-1-4-13(16)17-14-6-3-5-12(18(14)27-25-17)15-10-21-11-22-19(15)26-23-8-9-24-26/h1-11H.
What are the key properties of 3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole?
3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole has a molecular weight of 374.79 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-7-[4-(triazol-2-yl)pyrimidin-5-yl]-1,2-benzoxazole is sourced from PubChem (CID 71544322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).