2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole

C16H9ClN4O — CID 166582820

IUPAC2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole
SMILESClc1nc(-c2ccccc2)nc(-c2nc3ccccc3o2)n1
InChIInChI=1S/C16H9ClN4O/c17-16-20-13(10-6-2-1-3-7-10)19-14(21-16)15-18-11-8-4-5-9-12(11)22-15/h1-9H
InChIKeyPPFBCQJJKNURFJ-UHFFFAOYSA-N
MW308.73 g/mol
LogP4.00
Rot. Bonds2

About 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole

2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole (PubChem CID 166582820) has the molecular formula C16H9ClN4O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole
PubChem CID166582820
Molecular FormulaC16H9ClN4O
Molecular Weight308.73 g/mol
Exact Mass308.05
IUPAC Name2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole
SMILESClc1nc(-c2ccccc2)nc(-c2nc3ccccc3o2)n1
InChIInChI=1S/C16H9ClN4O/c17-16-20-13(10-6-2-1-3-7-10)19-14(21-16)15-18-11-8-4-5-9-12(11)22-15/h1-9H
InChIKeyPPFBCQJJKNURFJ-UHFFFAOYSA-N
XLogP4.00
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 70830032
2-[3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170027959
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 70830037
2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 147257373
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 174264001
2-[4-[6-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 170046632

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole (CID 166582820) is 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole is Clc1nc(-c2ccccc2)nc(-c2nc3ccccc3o2)n1.
What is the InChIKey of 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole?
The InChIKey is PPFBCQJJKNURFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O/c17-16-20-13(10-6-2-1-3-7-10)19-14(21-16)15-18-11-8-4-5-9-12(11)22-15/h1-9H.
What are the key properties of 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole?
2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole has a molecular weight of 308.73 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 166582820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).