2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole

C12H14ClNO — CID 67948494

IUPAC2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole
SMILESCC1=CNC(CCCl)(c2ccccc2)O1
InChIInChI=1S/C12H14ClNO/c1-10-9-14-12(15-10,7-8-13)11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3
InChIKeyPOXSXRPJXSHIOL-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.95
Rot. Bonds3

About 2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole

2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole (PubChem CID 67948494) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole
PubChem CID67948494
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole
SMILESCC1=CNC(CCCl)(c2ccccc2)O1
InChIInChI=1S/C12H14ClNO/c1-10-9-14-12(15-10,7-8-13)11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3
InChIKeyPOXSXRPJXSHIOL-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(2-phenyl-3H-1,3-benzoxazol-2-yl)ethanol
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3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan
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(2S)-2-(3-chloropropyl)-2-phenyloxolane
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3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole (CID 67948494) is 2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole is CC1=CNC(CCCl)(c2ccccc2)O1.
What is the InChIKey of 2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole?
The InChIKey is POXSXRPJXSHIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-10-9-14-12(15-10,7-8-13)11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole?
2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole has a molecular weight of 223.70 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-methyl-2-phenyl-3H-1,3-oxazole is sourced from PubChem (CID 67948494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).