5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole

C15H18ClNO — CID 102537710

IUPAC5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCCCCc1ccc(-c2cnc(C(C)Cl)o2)cc1
InChIInChI=1S/C15H18ClNO/c1-3-4-5-12-6-8-13(9-7-12)14-10-17-15(18-14)11(2)16/h6-11H,3-5H2,1-2H3
InChIKeyFICIOZMRZNTTRL-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.98
Rot. Bonds5

About 5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole

5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole (PubChem CID 102537710) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole
PubChem CID102537710
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole
SMILESCCCCc1ccc(-c2cnc(C(C)Cl)o2)cc1
InChIInChI=1S/C15H18ClNO/c1-3-4-5-12-6-8-13(9-7-12)14-10-17-15(18-14)11(2)16/h6-11H,3-5H2,1-2H3
InChIKeyFICIOZMRZNTTRL-UHFFFAOYSA-N
XLogP4.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.98
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-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 93258003
5-(4-butan-2-ylphenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 102537709
2-(1-chloroethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 43326970
[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360063
2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180038
2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole
CID 43144224
N-(4-butylphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956627
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 43144322
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-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole
CID 65180218

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole?
The IUPAC name of 5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole (CID 102537710) is 5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole?
The canonical SMILES for 5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole is CCCCc1ccc(-c2cnc(C(C)Cl)o2)cc1.
What is the InChIKey of 5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole?
The InChIKey is FICIOZMRZNTTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-3-4-5-12-6-8-13(9-7-12)14-10-17-15(18-14)11(2)16/h6-11H,3-5H2,1-2H3.
What are the key properties of 5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole?
5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole has a molecular weight of 263.77 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole is sourced from PubChem (CID 102537710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).