5-chloro-2-(4-methylphenyl)-1,3-benzoxazole

C14H10ClNO — CID 1331638

IUPAC5-chloro-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C14H10ClNO/c1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14/h2-8H,1H3
InChIKeyHLVKHXITUYLIIC-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.46
Rot. Bonds1

About 5-chloro-2-(4-methylphenyl)-1,3-benzoxazole

5-chloro-2-(4-methylphenyl)-1,3-benzoxazole (PubChem CID 1331638) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-2-(4-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-(4-methylphenyl)-1,3-benzoxazole
PubChem CID1331638
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name5-chloro-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C14H10ClNO/c1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14/h2-8H,1H3
InChIKeyHLVKHXITUYLIIC-UHFFFAOYSA-N
XLogP4.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-(4-methylphenyl)-1,3-benzoxazole (CID 1331638) is 5-chloro-2-(4-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-(4-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-(4-methylphenyl)-1,3-benzoxazole is Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 5-chloro-2-(4-methylphenyl)-1,3-benzoxazole?
The InChIKey is HLVKHXITUYLIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14/h2-8H,1H3.
What are the key properties of 5-chloro-2-(4-methylphenyl)-1,3-benzoxazole?
5-chloro-2-(4-methylphenyl)-1,3-benzoxazole has a molecular weight of 243.69 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 1331638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).