5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

C13H16N4O2 — CID 72859864

IUPAC5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCOc1ncccc1CNc1nnc(C2CC2)o1
InChIInChI=1S/C13H16N4O2/c1-2-18-11-10(4-3-7-14-11)8-15-13-17-16-12(19-13)9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyGWSYBLXAPLXHLE-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.35
Rot. Bonds6

About 5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72859864) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID72859864
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCOc1ncccc1CNc1nnc(C2CC2)o1
InChIInChI=1S/C13H16N4O2/c1-2-18-11-10(4-3-7-14-11)8-15-13-17-16-12(19-13)9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyGWSYBLXAPLXHLE-UHFFFAOYSA-N
XLogP2.35
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (CID 72859864) is 5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is CCOc1ncccc1CNc1nnc(C2CC2)o1.
What is the InChIKey of 5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GWSYBLXAPLXHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-18-11-10(4-3-7-14-11)8-15-13-17-16-12(19-13)9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of 5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 260.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2-ethoxy-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72859864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).