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

C8H6ClNO2 — CID 22033

IUPAC5-chloro-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(Cl)cc21
InChIInChI=1S/C8H6ClNO2/c1-10-6-4-5(9)2-3-7(6)12-8(10)11/h2-4H,1H3
InChIKeyVORWOQGVKPXSCM-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.78
Rot. Bonds

About 5-chloro-3-methyl-1,3-benzoxazol-2-one

5-chloro-3-methyl-1,3-benzoxazol-2-one (PubChem CID 22033) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 5-chloro-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-3-methyl-1,3-benzoxazol-2-one
PubChem CID22033
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name5-chloro-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(Cl)cc21
InChIInChI=1S/C8H6ClNO2/c1-10-6-4-5(9)2-3-7(6)12-8(10)11/h2-4H,1H3
InChIKeyVORWOQGVKPXSCM-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

Chlorzoxazone
CID 2733
Phosalone
CID 4793
6-Chloro-2,3-dihydrobenzoxazol-2-one
CID 29858
Gsk180
CID 105539874
3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester
CID 28445
3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
2-Benzoxazolinone, 3-methyl-
CID 30846
2-Benzoxazolinone, 5-chloro-3-(morpholinomethyl)-
CID 27842
Phenyl 5-Chloro-2-Oxobenzo(D)Oxazole-3(2H)-Carboxylate
CID 555874
2-Benzoxazolinone, 3-allyl-
CID 25999
3-Benzoxazolinecarboxylic acid, 5-chloro-2-oxo-, ethyl ester
CID 212810
2-Benzoxazolinone, 5-chloro-3-ethyl-
CID 22034

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-3-methyl-1,3-benzoxazol-2-one (CID 22033) is 5-chloro-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is VORWOQGVKPXSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c1-10-6-4-5(9)2-3-7(6)12-8(10)11/h2-4H,1H3.
What are the key properties of 5-chloro-3-methyl-1,3-benzoxazol-2-one?
5-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 5-chloro-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 22033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).