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

C14H15ClN2O — CID 103095703

IUPAC3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(C2CC2c2ccccc2)n1
InChIInChI=1S/C14H15ClN2O/c1-2-12(15)13-16-14(18-17-13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3
InChIKeyWISDQCHXIWVRHZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.03
Rot. Bonds4

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

3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 103095703) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
PubChem CID103095703
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(C2CC2c2ccccc2)n1
InChIInChI=1S/C14H15ClN2O/c1-2-12(15)13-16-14(18-17-13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3
InChIKeyWISDQCHXIWVRHZ-UHFFFAOYSA-N
XLogP4.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.03
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

1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096443
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113
3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole
CID 103095548
3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 103095669
3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103095705
2-methyl-3-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 19330699
3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 103095565
4-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 78953395
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
4-[(1R,2R)-2-[3-[(1S)-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzonitrile
CID 129358248
3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103095530
3-(1-chloropropyl)-5-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazole
CID 103095583

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole (CID 103095703) is 3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole is CCC(Cl)c1noc(C2CC2c2ccccc2)n1.
What is the InChIKey of 3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is WISDQCHXIWVRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-12(15)13-16-14(18-17-13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3.
What are the key properties of 3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 262.74 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103095703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).