3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole

C18H21N3O2 — CID 86275897

IUPAC3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3cc(OCC4CC4)c(C4CC4)cn3)no2)CC1
InChIInChI=1S/C18H21N3O2/c1-18(6-7-18)17-20-16(21-23-17)14-8-15(22-10-11-2-3-11)13(9-19-14)12-4-5-12/h8-9,11-12H,2-7,10H2,1H3
InChIKeyXFUQNVJIKLIIFB-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.85
Rot. Bonds6

About 3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole

3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 86275897) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
PubChem CID86275897
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3cc(OCC4CC4)c(C4CC4)cn3)no2)CC1
InChIInChI=1S/C18H21N3O2/c1-18(6-7-18)17-20-16(21-23-17)14-8-15(22-10-11-2-3-11)13(9-19-14)12-4-5-12/h8-9,11-12H,2-7,10H2,1H3
InChIKeyXFUQNVJIKLIIFB-UHFFFAOYSA-N
XLogP3.85
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole (CID 86275897) is 3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole is CC1(c2nc(-c3cc(OCC4CC4)c(C4CC4)cn3)no2)CC1.
What is the InChIKey of 3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is XFUQNVJIKLIIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(6-7-18)17-20-16(21-23-17)14-8-15(22-10-11-2-3-11)13(9-19-14)12-4-5-12/h8-9,11-12H,2-7,10H2,1H3.
What are the key properties of 3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole?
3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 311.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 86275897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).