5-(3-chlorophenyl)-3-ethyl-1,2-oxazole

C11H10ClNO — CID 143435495

IUPAC5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
SMILESCCc1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C11H10ClNO/c1-2-10-7-11(14-13-10)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3
InChIKeyLWGXLHRTQLGJJN-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.56
Rot. Bonds2

About 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole

5-(3-chlorophenyl)-3-ethyl-1,2-oxazole (PubChem CID 143435495) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
PubChem CID143435495
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
SMILESCCc1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C11H10ClNO/c1-2-10-7-11(14-13-10)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3
InChIKeyLWGXLHRTQLGJJN-UHFFFAOYSA-N
XLogP3.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole
CID 167851791
5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole
CID 167763884
3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
CID 59226263
N-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide
CID 167877940
5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66199430
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
5-chloro-3-ethyl-1,2-oxazole
CID 55264902
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119630177
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165481100
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120652870
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111357982

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole (CID 143435495) is 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole is CCc1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole?
The InChIKey is LWGXLHRTQLGJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-2-10-7-11(14-13-10)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole?
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole has a molecular weight of 207.66 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole is sourced from PubChem (CID 143435495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).