3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

C13H10N4O2 — CID 75527923

IUPAC3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3nc(C4CC4)no3)n2)cc1
InChIInChI=1S/C13H10N4O2/c1-2-4-8(5-3-1)10-14-12(18-16-10)13-15-11(17-19-13)9-6-7-9/h1-5,9H,6-7H2
InChIKeyHGEMTLCFPQAIRD-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.66
Rot. Bonds3

About 3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 75527923) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
PubChem CID75527923
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3nc(C4CC4)no3)n2)cc1
InChIInChI=1S/C13H10N4O2/c1-2-4-8(5-3-1)10-14-12(18-16-10)13-15-11(17-19-13)9-6-7-9/h1-5,9H,6-7H2
InChIKeyHGEMTLCFPQAIRD-UHFFFAOYSA-N
XLogP2.66
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-phenylphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 59657751
2-cyclopropyl-4,6-diphenyl-1,3,5-triazine
CID 135273812
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 65390325
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 55237242
1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916927
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136683202
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 112707854
5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 53353035

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (CID 75527923) is 3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is c1ccc(-c2noc(-c3nc(C4CC4)no3)n2)cc1.
What is the InChIKey of 3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is HGEMTLCFPQAIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-2-4-8(5-3-1)10-14-12(18-16-10)13-15-11(17-19-13)9-6-7-9/h1-5,9H,6-7H2.
What are the key properties of 3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 254.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 75527923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).