4-chloro-6-ethyl-1,3-benzoxazole

C9H8ClNO — CID 155002998

IUPAC4-chloro-6-ethyl-1,3-benzoxazole
SMILESCCc1cc(Cl)c2ncoc2c1
InChIInChI=1S/C9H8ClNO/c1-2-6-3-7(10)9-8(4-6)12-5-11-9/h3-5H,2H2,1H3
InChIKeyDGZIMVLGOYAAIN-UHFFFAOYSA-N
MW181.62 g/mol
LogP3.04
Rot. Bonds1

About 4-chloro-6-ethyl-1,3-benzoxazole

4-chloro-6-ethyl-1,3-benzoxazole (PubChem CID 155002998) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 4-chloro-6-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-chloro-6-ethyl-1,3-benzoxazole
PubChem CID155002998
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name4-chloro-6-ethyl-1,3-benzoxazole
SMILESCCc1cc(Cl)c2ncoc2c1
InChIInChI=1S/C9H8ClNO/c1-2-6-3-7(10)9-8(4-6)12-5-11-9/h3-5H,2H2,1H3
InChIKeyDGZIMVLGOYAAIN-UHFFFAOYSA-N
XLogP3.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-chloro-1,3-benzoxazole
CID 82095374
4-chloro-6-propan-2-yl-1,3-benzoxazole
CID 137430290
4-chloro-6-ethyl-1,3-benzothiazole;ethane
CID 154657873
4,6-dimethyl-1,3-benzoxazole
CID 19990338
2,3-dichloro-5-ethylpyridine
CID 20678674
6-(2-bromoethyl)-1,3-benzoxazol-4-olate
CID 151755173
2-(1,3-benzoxazol-5-yl)-N-ethylethanamine
CID 82490944
4-chloro-6-ethyl-1,3-benzothiazol-2-amine
CID 30029861
2-chloro-5-ethylpyrimidine
CID 3572763
lithium;hydride;1,3,5-triethylbenzene
CID 174873379
4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine
CID 82549012
1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one
CID 83884720

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-1,3-benzoxazole?
The IUPAC name of 4-chloro-6-ethyl-1,3-benzoxazole (CID 155002998) is 4-chloro-6-ethyl-1,3-benzoxazole.
What is the SMILES notation for 4-chloro-6-ethyl-1,3-benzoxazole?
The canonical SMILES for 4-chloro-6-ethyl-1,3-benzoxazole is CCc1cc(Cl)c2ncoc2c1.
What is the InChIKey of 4-chloro-6-ethyl-1,3-benzoxazole?
The InChIKey is DGZIMVLGOYAAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c1-2-6-3-7(10)9-8(4-6)12-5-11-9/h3-5H,2H2,1H3.
What are the key properties of 4-chloro-6-ethyl-1,3-benzoxazole?
4-chloro-6-ethyl-1,3-benzoxazole has a molecular weight of 181.62 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-1,3-benzoxazole is sourced from PubChem (CID 155002998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).