2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole

C13H14ClNO — CID 43144322

IUPAC2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
SMILESCCc1ccc(-c2cnc(CCCl)o2)cc1
InChIInChI=1S/C13H14ClNO/c1-2-10-3-5-11(6-4-10)12-9-15-13(16-12)7-8-14/h3-6,9H,2,7-8H2,1H3
InChIKeyJWICLOBOOWKQQN-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.69
Rot. Bonds4

About 2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole

2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole (PubChem CID 43144322) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
PubChem CID43144322
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
SMILESCCc1ccc(-c2cnc(CCCl)o2)cc1
InChIInChI=1S/C13H14ClNO/c1-2-10-3-5-11(6-4-10)12-9-15-13(16-12)7-8-14/h3-6,9H,2,7-8H2,1H3
InChIKeyJWICLOBOOWKQQN-UHFFFAOYSA-N
XLogP3.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 65180183
2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole
CID 43144307
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097
2-(3-chloropropyl)-5-(3,4-diethoxyphenyl)-1,3-oxazole
CID 65179824
[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360063
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide
CID 30175942
2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole
CID 43144208
2-(2-chloroethyl)-5-(3-nitrophenyl)-1,3-oxazole
CID 43144288
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115042364
2-(2-chloroethyl)-5-(5-fluoro-2-pyridinyl)-1,3-oxazole
CID 83125150

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole (CID 43144322) is 2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole is CCc1ccc(-c2cnc(CCCl)o2)cc1.
What is the InChIKey of 2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole?
The InChIKey is JWICLOBOOWKQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-2-10-3-5-11(6-4-10)12-9-15-13(16-12)7-8-14/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole?
2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole has a molecular weight of 235.71 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole is sourced from PubChem (CID 43144322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).