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

C14H17N3O2 — CID 75421627

IUPAC3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCCOc1ccc(CNc2nc(C3CC3)no2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-18-12-7-3-10(4-8-12)9-15-14-16-13(17-19-14)11-5-6-11/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,15,16,17)
InChIKeyOVTOFXOXEABKLR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.96
Rot. Bonds6

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

3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 75421627) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID75421627
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCCOc1ccc(CNc2nc(C3CC3)no2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-18-12-7-3-10(4-8-12)9-15-14-16-13(17-19-14)11-5-6-11/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,15,16,17)
InChIKeyOVTOFXOXEABKLR-UHFFFAOYSA-N
XLogP2.96
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine (CID 75421627) is 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine is CCOc1ccc(CNc2nc(C3CC3)no2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is OVTOFXOXEABKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-18-12-7-3-10(4-8-12)9-15-14-16-13(17-19-14)11-5-6-11/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,15,16,17).
What are the key properties of 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 259.31 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 75421627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).