5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole

C12H10Cl2FNO — CID 65179612

IUPAC5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CCCCl)o2)c(Cl)c1
InChIInChI=1S/C12H10Cl2FNO/c13-5-1-2-12-16-7-11(17-12)9-4-3-8(15)6-10(9)14/h3-4,6-7H,1-2,5H2
InChIKeyHLWMIWYNROHKOG-UHFFFAOYSA-N
MW274.12 g/mol
LogP4.31
Rot. Bonds4

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

5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole (PubChem CID 65179612) has the molecular formula C12H10Cl2FNO and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
PubChem CID65179612
Molecular FormulaC12H10Cl2FNO
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CCCCl)o2)c(Cl)c1
InChIInChI=1S/C12H10Cl2FNO/c13-5-1-2-12-16-7-11(17-12)9-4-3-8(15)6-10(9)14/h3-4,6-7H,1-2,5H2
InChIKeyHLWMIWYNROHKOG-UHFFFAOYSA-N
XLogP4.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 54.31
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-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole
CID 65179486
5-(2-bromo-5-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179881
N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183911
2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole
CID 65179480
3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 62945973
3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178598
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187402
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole
CID 65179613
2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 65180005
2-(3-chloropropyl)-5-(2,6-difluoro-3-methylphenyl)-1,3-oxazole
CID 82818460
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole (CID 65179612) is 5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole is Fc1ccc(-c2cnc(CCCCl)o2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole?
The InChIKey is HLWMIWYNROHKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FNO/c13-5-1-2-12-16-7-11(17-12)9-4-3-8(15)6-10(9)14/h3-4,6-7H,1-2,5H2.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole?
5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole has a molecular weight of 274.12 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole is sourced from PubChem (CID 65179612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).