3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole

C14H17ClN2O — CID 103095669

IUPAC3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(C(CC)c2ccccc2)n1
InChIInChI=1S/C14H17ClN2O/c1-3-11(10-8-6-5-7-9-10)14-16-13(17-18-14)12(15)4-2/h5-9,11-12H,3-4H2,1-2H3
InChIKeyCRXWUMJLSWVJFH-UHFFFAOYSA-N
MW264.76 g/mol
LogP4.30
Rot. Bonds5

About 3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole

3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole (PubChem CID 103095669) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
PubChem CID103095669
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(C(CC)c2ccccc2)n1
InChIInChI=1S/C14H17ClN2O/c1-3-11(10-8-6-5-7-9-10)14-16-13(17-18-14)12(15)4-2/h5-9,11-12H,3-4H2,1-2H3
InChIKeyCRXWUMJLSWVJFH-UHFFFAOYSA-N
XLogP4.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole
CID 803156
5-[(1R)-1-phenylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 803925
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547
3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 2923172
3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 103095703
5-(1-phenylpropyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944290
3-(1-chloropropyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 103095546
3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 103095565
3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole
CID 103095417
3-(1-chloropropyl)-5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole
CID 103095653
5-(1-phenylpropyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342702
[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116703136

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole (CID 103095669) is 3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole is CCC(Cl)c1noc(C(CC)c2ccccc2)n1.
What is the InChIKey of 3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole?
The InChIKey is CRXWUMJLSWVJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-11(10-8-6-5-7-9-10)14-16-13(17-18-14)12(15)4-2/h5-9,11-12H,3-4H2,1-2H3.
What are the key properties of 3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole?
3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole has a molecular weight of 264.76 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103095669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).