5,6-dichloro-3-methyl-1,3-benzoxazol-2-one

C8H5Cl2NO2 — CID 82184528

IUPAC5,6-dichloro-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H5Cl2NO2/c1-11-6-2-4(9)5(10)3-7(6)13-8(11)12/h2-3H,1H3
InChIKeyOAULZKMEYGPRFJ-UHFFFAOYSA-N
MW218.04 g/mol
LogP2.44
Rot. Bonds

About 5,6-dichloro-3-methyl-1,3-benzoxazol-2-one

5,6-dichloro-3-methyl-1,3-benzoxazol-2-one (PubChem CID 82184528) has the molecular formula C8H5Cl2NO2 and a molecular weight of 218.04 g/mol. Its IUPAC name is 5,6-dichloro-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5,6-dichloro-3-methyl-1,3-benzoxazol-2-one
PubChem CID82184528
Molecular FormulaC8H5Cl2NO2
Molecular Weight218.04 g/mol
Exact Mass216.97
IUPAC Name5,6-dichloro-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H5Cl2NO2/c1-11-6-2-4(9)5(10)3-7(6)13-8(11)12/h2-3H,1H3
InChIKeyOAULZKMEYGPRFJ-UHFFFAOYSA-N
XLogP2.44
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione
CID 10710339
4-chloro-3-methyl-1,3-benzoxazol-2-one
CID 13075595
5-chloro-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 17139154
5-chloro-6-[(2-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42600737
6-(1-chloro-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62300717
5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
CID 117043635
3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
CID 134527822
5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 7647934
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 42590576

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5,6-dichloro-3-methyl-1,3-benzoxazol-2-one (CID 82184528) is 5,6-dichloro-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5,6-dichloro-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5,6-dichloro-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is OAULZKMEYGPRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO2/c1-11-6-2-4(9)5(10)3-7(6)13-8(11)12/h2-3H,1H3.
What are the key properties of 5,6-dichloro-3-methyl-1,3-benzoxazol-2-one?
5,6-dichloro-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 218.04 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 82184528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).