2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole

C14H10ClNO — CID 711875

IUPAC2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H10ClNO/c1-9-2-7-13-12(8-9)16-14(17-13)10-3-5-11(15)6-4-10/h2-8H,1H3
InChIKeyGSCLPYWGXHGCOK-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.46
Rot. Bonds1

About 2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole

2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole (PubChem CID 711875) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole
PubChem CID711875
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H10ClNO/c1-9-2-7-13-12(8-9)16-14(17-13)10-3-5-11(15)6-4-10/h2-8H,1H3
InChIKeyGSCLPYWGXHGCOK-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 2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole (CID 711875) is 2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole is Cc1ccc2oc(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole?
The InChIKey is GSCLPYWGXHGCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-9-2-7-13-12(8-9)16-14(17-13)10-3-5-11(15)6-4-10/h2-8H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole?
2-(4-chlorophenyl)-5-methyl-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 2-(4-chlorophenyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 711875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).