2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole

C15H12ClNO2 — CID 10445998

IUPAC2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(COc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H12ClNO2/c1-10-2-7-14-13(8-10)17-15(19-14)9-18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3
InChIKeyXAUDMOLQHOQJIW-UHFFFAOYSA-N
MW273.72 g/mol
LogP4.37
Rot. Bonds3

About 2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole

2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole (PubChem CID 10445998) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole
PubChem CID10445998
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(COc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H12ClNO2/c1-10-2-7-14-13(8-10)17-15(19-14)9-18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3
InChIKeyXAUDMOLQHOQJIW-UHFFFAOYSA-N
XLogP4.37
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole (CID 10445998) is 2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole is Cc1ccc2oc(COc3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole?
The InChIKey is XAUDMOLQHOQJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-10-2-7-14-13(8-10)17-15(19-14)9-18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole?
2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole has a molecular weight of 273.72 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 10445998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).