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

C12H10ClF2NO — CID 65179486

IUPAC2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CCCCl)o2)c(F)c1
InChIInChI=1S/C12H10ClF2NO/c13-5-1-2-12-16-7-11(17-12)9-4-3-8(14)6-10(9)15/h3-4,6-7H,1-2,5H2
InChIKeyLPNCTHZYRPTOMZ-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.79
Rot. Bonds4

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

2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole (PubChem CID 65179486) has the molecular formula C12H10ClF2NO and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole
PubChem CID65179486
Molecular FormulaC12H10ClF2NO
Molecular Weight257.67 g/mol
Exact Mass257.04
IUPAC Name2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CCCCl)o2)c(F)c1
InChIInChI=1S/C12H10ClF2NO/c13-5-1-2-12-16-7-11(17-12)9-4-3-8(14)6-10(9)15/h3-4,6-7H,1-2,5H2
InChIKeyLPNCTHZYRPTOMZ-UHFFFAOYSA-N
XLogP3.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.79
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-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179612
5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179881
2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole
CID 65179480
3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178598
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
2-(3-chloropropyl)-5-(2,6-difluoro-3-methylphenyl)-1,3-oxazole
CID 82818460
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 55485978
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55486440
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole
CID 65179613

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole (CID 65179486) is 2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole is Fc1ccc(-c2cnc(CCCCl)o2)c(F)c1.
What is the InChIKey of 2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole?
The InChIKey is LPNCTHZYRPTOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NO/c13-5-1-2-12-16-7-11(17-12)9-4-3-8(14)6-10(9)15/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole?
2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole has a molecular weight of 257.67 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole is sourced from PubChem (CID 65179486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).