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

C14H16ClNO — CID 65180183

IUPAC2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole
SMILESCCc1ccc(-c2cnc(CCCCl)o2)cc1
InChIInChI=1S/C14H16ClNO/c1-2-11-5-7-12(8-6-11)13-10-16-14(17-13)4-3-9-15/h5-8,10H,2-4,9H2,1H3
InChIKeyVZVIVCWTLKIBRC-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.08
Rot. Bonds5

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

2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole (PubChem CID 65180183) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole
PubChem CID65180183
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole
SMILESCCc1ccc(-c2cnc(CCCCl)o2)cc1
InChIInChI=1S/C14H16ClNO/c1-2-11-5-7-12(8-6-11)13-10-16-14(17-13)4-3-9-15/h5-8,10H,2-4,9H2,1H3
InChIKeyVZVIVCWTLKIBRC-UHFFFAOYSA-N
XLogP4.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.08
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-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 43144322
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole
CID 43144307
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337
2-(3-chloropropyl)-5-(3,4-diethoxyphenyl)-1,3-oxazole
CID 65179824
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115042364
[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360063
2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole
CID 65179426
2-(3-chloropropyl)-5-(2,6-difluoro-3-methylphenyl)-1,3-oxazole
CID 82818460
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole
CID 65179365
2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole
CID 65179486

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole (CID 65180183) is 2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole is CCc1ccc(-c2cnc(CCCCl)o2)cc1.
What is the InChIKey of 2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole?
The InChIKey is VZVIVCWTLKIBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-2-11-5-7-12(8-6-11)13-10-16-14(17-13)4-3-9-15/h5-8,10H,2-4,9H2,1H3.
What are the key properties of 2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole?
2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole has a molecular weight of 249.74 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole is sourced from PubChem (CID 65180183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).