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

C9H8ClNO2 — CID 22034

IUPAC5-chloro-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2ccc(Cl)cc21
InChIInChI=1S/C9H8ClNO2/c1-2-11-7-5-6(10)3-4-8(7)13-9(11)12/h3-5H,2H2,1H3
InChIKeyNGNSUTIRTDXXGA-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.27
Rot. Bonds1

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

5-chloro-3-ethyl-1,3-benzoxazol-2-one (PubChem CID 22034) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-3-ethyl-1,3-benzoxazol-2-one
PubChem CID22034
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name5-chloro-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2ccc(Cl)cc21
InChIInChI=1S/C9H8ClNO2/c1-2-11-7-5-6(10)3-4-8(7)13-9(11)12/h3-5H,2H2,1H3
InChIKeyNGNSUTIRTDXXGA-UHFFFAOYSA-N
XLogP2.27
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.27
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-(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
3-(5-Chloranyl-6-Methyl-2-Oxidanylidene-1,3-Benzoxazol-3-Yl)propanoic Acid
CID 118174579
N-(4-chlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 890994
2-Benzoxazolinone, 3-allyl-
CID 25999
3-Benzoxazolinecarboxylic acid, 5-chloro-2-oxo-, ethyl ester
CID 212810

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-3-ethyl-1,3-benzoxazol-2-one (CID 22034) is 5-chloro-3-ethyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-3-ethyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-3-ethyl-1,3-benzoxazol-2-one is CCn1c(=O)oc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-ethyl-1,3-benzoxazol-2-one?
The InChIKey is NGNSUTIRTDXXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-2-11-7-5-6(10)3-4-8(7)13-9(11)12/h3-5H,2H2,1H3.
What are the key properties of 5-chloro-3-ethyl-1,3-benzoxazol-2-one?
5-chloro-3-ethyl-1,3-benzoxazol-2-one has a molecular weight of 197.62 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 22034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).