2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole

C14H16ClNO — CID 65180038

IUPAC2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(CCCc2ccccc2)o1
InChIInChI=1S/C14H16ClNO/c1-11(15)14-16-10-13(17-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyPKWLILCFXQFZJQ-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.15
Rot. Bonds5

About 2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole

2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole (PubChem CID 65180038) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole
PubChem CID65180038
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole
SMILESCC(Cl)c1ncc(CCCc2ccccc2)o1
InChIInChI=1S/C14H16ClNO/c1-11(15)14-16-10-13(17-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyPKWLILCFXQFZJQ-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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

1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine
CID 65179120
N-methyl-1-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine
CID 65181841
2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180237
[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
CID 65180073
2-methyl-N-[[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184071
2-(1-chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213132
N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187240
1,1-dichloroethane;pentylbenzene
CID 158559289
5-isocyano-2-(7-phenylheptan-2-yl)-1,3-oxazole
CID 59248871
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
4-(1-chloroethyl)-1-(3-phenylpropyl)pyrazole
CID 62732024

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole?
The IUPAC name of 2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole (CID 65180038) is 2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole is CC(Cl)c1ncc(CCCc2ccccc2)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole?
The InChIKey is PKWLILCFXQFZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-11(15)14-16-10-13(17-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole?
2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole has a molecular weight of 249.74 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole is sourced from PubChem (CID 65180038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).