5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole

C12H12ClNO — CID 164658927

IUPAC5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole
SMILESCCc1ccccc1-c1ncc(CCl)o1
InChIInChI=1S/C12H12ClNO/c1-2-9-5-3-4-6-11(9)12-14-8-10(7-13)15-12/h3-6,8H,2,7H2,1H3
InChIKeyPJCULBSICGPTCH-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.64
Rot. Bonds3

About 5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole

5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole (PubChem CID 164658927) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole
PubChem CID164658927
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole
SMILESCCc1ccccc1-c1ncc(CCl)o1
InChIInChI=1S/C12H12ClNO/c1-2-9-5-3-4-6-11(9)12-14-8-10(7-13)15-12/h3-6,8H,2,7H2,1H3
InChIKeyPJCULBSICGPTCH-UHFFFAOYSA-N
XLogP3.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.64
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

5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 141330846
2-[2-(2-hydroxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
CID 137003005
1-(chloromethyl)-2-ethylbenzene
CID 524243
[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine
CID 170752586
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271
1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine
CID 115087279
2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol
CID 115087224
5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole
CID 11414009
6-(2-ethylphenyl)pyridin-3-amine
CID 82398196
2-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
CID 137003013
2-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1,3-oxazole
CID 164658936
1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115087282

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole?
The IUPAC name of 5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole (CID 164658927) is 5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole is CCc1ccccc1-c1ncc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole?
The InChIKey is PJCULBSICGPTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-2-9-5-3-4-6-11(9)12-14-8-10(7-13)15-12/h3-6,8H,2,7H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole?
5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole has a molecular weight of 221.69 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole is sourced from PubChem (CID 164658927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).