3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole

C14H17N3O2 — CID 138049382

IUPAC3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(COc2ccnc(C3CC3)c2)no1
InChIInChI=1S/C14H17N3O2/c1-9(2)14-16-13(17-19-14)8-18-11-5-6-15-12(7-11)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyWDRQPKZMADUYNP-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.04
Rot. Bonds5

About 3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole

3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 138049382) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID138049382
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(COc2ccnc(C3CC3)c2)no1
InChIInChI=1S/C14H17N3O2/c1-9(2)14-16-13(17-19-14)8-18-11-5-6-15-12(7-11)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyWDRQPKZMADUYNP-UHFFFAOYSA-N
XLogP3.04
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 138049382) is 3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(COc2ccnc(C3CC3)c2)no1.
What is the InChIKey of 3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is WDRQPKZMADUYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)14-16-13(17-19-14)8-18-11-5-6-15-12(7-11)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-4-pyridinyl)oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 138049382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).