3-chloro-5-methyl-1,2-benzoxazole

C8H6ClNO — CID 15453990

IUPAC3-chloro-5-methyl-1,2-benzoxazole
SMILESCc1ccc2onc(Cl)c2c1
InChIInChI=1S/C8H6ClNO/c1-5-2-3-7-6(4-5)8(9)10-11-7/h2-4H,1H3
InChIKeyVBULZBXUOIAIFP-UHFFFAOYSA-N
MW167.59 g/mol
LogP2.79
Rot. Bonds

About 3-chloro-5-methyl-1,2-benzoxazole

3-chloro-5-methyl-1,2-benzoxazole (PubChem CID 15453990) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 3-chloro-5-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name3-chloro-5-methyl-1,2-benzoxazole
PubChem CID15453990
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name3-chloro-5-methyl-1,2-benzoxazole
SMILESCc1ccc2onc(Cl)c2c1
InChIInChI=1S/C8H6ClNO/c1-5-2-3-7-6(4-5)8(9)10-11-7/h2-4H,1H3
InChIKeyVBULZBXUOIAIFP-UHFFFAOYSA-N
XLogP2.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-1,2-benzoxazole?
The IUPAC name of 3-chloro-5-methyl-1,2-benzoxazole (CID 15453990) is 3-chloro-5-methyl-1,2-benzoxazole.
What is the SMILES notation for 3-chloro-5-methyl-1,2-benzoxazole?
The canonical SMILES for 3-chloro-5-methyl-1,2-benzoxazole is Cc1ccc2onc(Cl)c2c1.
What is the InChIKey of 3-chloro-5-methyl-1,2-benzoxazole?
The InChIKey is VBULZBXUOIAIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c1-5-2-3-7-6(4-5)8(9)10-11-7/h2-4H,1H3.
What are the key properties of 3-chloro-5-methyl-1,2-benzoxazole?
3-chloro-5-methyl-1,2-benzoxazole has a molecular weight of 167.59 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-1,2-benzoxazole is sourced from PubChem (CID 15453990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).