6-chloro-3-methyl-1,3-benzoxazol-2-one

C8H6ClNO2 — CID 843790

IUPAC6-chloro-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C8H6ClNO2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,1H3
InChIKeyCUSHYNPUXTVNEN-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.78
Rot. Bonds

About 6-chloro-3-methyl-1,3-benzoxazol-2-one

6-chloro-3-methyl-1,3-benzoxazol-2-one (PubChem CID 843790) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 6-chloro-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-chloro-3-methyl-1,3-benzoxazol-2-one
PubChem CID843790
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name6-chloro-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C8H6ClNO2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,1H3
InChIKeyCUSHYNPUXTVNEN-UHFFFAOYSA-N
XLogP1.78
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299318
6-[(2,4-dichlorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42600742
5,6-dichloro-3-methyl-1,3-benzoxazol-2-one
CID 82184528
6-(1-chloro-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62300717
6-(3,4-difluorobenzoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275173
6-[2-(3-chlorophenyl)acetyl]-3-methyl-1,3-benzoxazol-2-one
CID 62504770
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962051
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetonitrile
CID 8986046
6-(1,1-difluoroethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116841588
N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide
CID 154747701
6-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 20858987
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-chloro-3-methyl-1,3-benzoxazol-2-one (CID 843790) is 6-chloro-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-chloro-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-chloro-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is CUSHYNPUXTVNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,1H3.
What are the key properties of 6-chloro-3-methyl-1,3-benzoxazol-2-one?
6-chloro-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 183.59 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 843790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).