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

C14H16ClNO — CID 43310151

IUPAC2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole
SMILESCCc1ccc(-c2oc(C(C)Cl)nc2C)cc1
InChIInChI=1S/C14H16ClNO/c1-4-11-5-7-12(8-6-11)13-10(3)16-14(17-13)9(2)15/h5-9H,4H2,1-3H3
InChIKeyJLHLPMJZJIDXEH-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.51
Rot. Bonds3

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

2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole (PubChem CID 43310151) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole
PubChem CID43310151
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole
SMILESCCc1ccc(-c2oc(C(C)Cl)nc2C)cc1
InChIInChI=1S/C14H16ClNO/c1-4-11-5-7-12(8-6-11)13-10(3)16-14(17-13)9(2)15/h5-9H,4H2,1-3H3
InChIKeyJLHLPMJZJIDXEH-UHFFFAOYSA-N
XLogP4.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.51
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-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole
CID 43144256
5-(4-ethylphenyl)-4-methyl-1,3-oxazole
CID 82125408
[chloro-(4-ethylphenyl)methyl]-trimethylsilane
CID 171781017
6-chloro-3-(4-ethylphenyl)-2-methylpyridine
CID 141210681
(1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine
CID 97002571
3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029815
2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745786
5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole
CID 97066799
2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 43144205
[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 71683764
butane;1-ethyl-4-methylbenzene;methane;2-methylpropane
CID 160516837
4-(4-ethylphenyl)-3-methyl-1,2-oxazole
CID 89297877

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole (CID 43310151) is 2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole is CCc1ccc(-c2oc(C(C)Cl)nc2C)cc1.
What is the InChIKey of 2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole?
The InChIKey is JLHLPMJZJIDXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-4-11-5-7-12(8-6-11)13-10(3)16-14(17-13)9(2)15/h5-9H,4H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole?
2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole has a molecular weight of 249.74 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 43310151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).