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

C10H15ClN2O — CID 103095417

IUPAC3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(C(C)C2CC2)n1
InChIInChI=1S/C10H15ClN2O/c1-3-8(11)9-12-10(14-13-9)6(2)7-4-5-7/h6-8H,3-5H2,1-2H3
InChIKeySHSFQSHKSDWSCN-UHFFFAOYSA-N
MW214.70 g/mol
LogP3.27
Rot. Bonds4

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

3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole (PubChem CID 103095417) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole
PubChem CID103095417
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(C(C)C2CC2)n1
InChIInChI=1S/C10H15ClN2O/c1-3-8(11)9-12-10(14-13-9)6(2)7-4-5-7/h6-8H,3-5H2,1-2H3
InChIKeySHSFQSHKSDWSCN-UHFFFAOYSA-N
XLogP3.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 53.27
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

2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633437
5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole
CID 89185724
3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103095705
3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 103095669
5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole
CID 116701872
(1S)-1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901845
3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole
CID 103095548
1-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 83148343
3-(1-chloropropyl)-5-(2-methylbutan-2-yl)-1,2,4-oxadiazole
CID 103095683
3-(1-chloropropyl)-5-(1-methylcyclohexyl)-1,2,4-oxadiazole
CID 106827745
cyclopentyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 62070741
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 63717020

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole (CID 103095417) is 3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole is CCC(Cl)c1noc(C(C)C2CC2)n1.
What is the InChIKey of 3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole?
The InChIKey is SHSFQSHKSDWSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-3-8(11)9-12-10(14-13-9)6(2)7-4-5-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole?
3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole has a molecular weight of 214.70 g/mol, XLogP of 3.27, 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-(1-cyclopropylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103095417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).