5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole

C9H12N2O — CID 130718798

IUPAC5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
SMILESC1CC1Cc1noc(C2CC2)n1
InChIInChI=1S/C9H12N2O/c1-2-6(1)5-8-10-9(12-11-8)7-3-4-7/h6-7H,1-5H2
InChIKeyZONPAVSHTFLREF-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.90
Rot. Bonds3

About 5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole

5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole (PubChem CID 130718798) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
PubChem CID130718798
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
SMILESC1CC1Cc1noc(C2CC2)n1
InChIInChI=1S/C9H12N2O/c1-2-6(1)5-8-10-9(12-11-8)7-3-4-7/h6-7H,1-5H2
InChIKeyZONPAVSHTFLREF-UHFFFAOYSA-N
XLogP1.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 131042802
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
5-(oxan-4-yl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 86820422
5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 146155362
3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832637
3-(cyclopropylmethyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781083
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
3-(oxan-3-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080678
(3S,5R)-5-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104971482
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine;hydrochloride
CID 53433662
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 103988179

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole (CID 130718798) is 5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole is C1CC1Cc1noc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The InChIKey is ZONPAVSHTFLREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-6(1)5-8-10-9(12-11-8)7-3-4-7/h6-7H,1-5H2.
What are the key properties of 5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole has a molecular weight of 164.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130718798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).