3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole

C10H13N3O — CID 19886302

IUPAC3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESC1=C(c2nc(C3CC3)no2)CNCC1
InChIInChI=1S/C10H13N3O/c1-2-8(6-11-5-1)10-12-9(13-14-10)7-3-4-7/h2,7,11H,1,3-6H2
InChIKeyCRSUSEVJGZGBGH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.32
Rot. Bonds2

About 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole

3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 19886302) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
PubChem CID19886302
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESC1=C(c2nc(C3CC3)no2)CNCC1
InChIInChI=1S/C10H13N3O/c1-2-8(6-11-5-1)10-12-9(13-14-10)7-3-4-7/h2,7,11H,1,3-6H2
InChIKeyCRSUSEVJGZGBGH-UHFFFAOYSA-N
XLogP1.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (CID 19886302) is 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is C1=C(c2nc(C3CC3)no2)CNCC1.
What is the InChIKey of 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is CRSUSEVJGZGBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-8(6-11-5-1)10-12-9(13-14-10)7-3-4-7/h2,7,11H,1,3-6H2.
What are the key properties of 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 191.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 19886302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).