5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole

C14H14Cl2N2O — CID 130466736

IUPAC5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole
SMILESCC(C)C1C(c2nc(-c3ccccc3)no2)C1(Cl)Cl
InChIInChI=1S/C14H14Cl2N2O/c1-8(2)10-11(14(10,15)16)13-17-12(18-19-13)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3
InChIKeyIAASJKNJHHYAFQ-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.28
Rot. Bonds3

About 5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole

5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 130466736) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID130466736
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole
SMILESCC(C)C1C(c2nc(-c3ccccc3)no2)C1(Cl)Cl
InChIInChI=1S/C14H14Cl2N2O/c1-8(2)10-11(14(10,15)16)13-17-12(18-19-13)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3
InChIKeyIAASJKNJHHYAFQ-UHFFFAOYSA-N
XLogP4.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.28
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

4-[(1S,3S)-2,2-dichloro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
CID 130448259
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cycloheptan-1-amine
CID 63347847
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345406
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345367
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
CID 120835072
2,2-dimethyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524021
5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid
CID 102689830
4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide
CID 130448699
2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 47012753
3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 91663021

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole (CID 130466736) is 5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole is CC(C)C1C(c2nc(-c3ccccc3)no2)C1(Cl)Cl.
What is the InChIKey of 5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is IAASJKNJHHYAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-8(2)10-11(14(10,15)16)13-17-12(18-19-13)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3.
What are the key properties of 5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole?
5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 297.19 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dichloro-3-propan-2-ylcyclopropyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 130466736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).