1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone

C16H18N2O3 — CID 116780574

IUPAC1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCOC(c1ccccc1)c1noc(CC(=O)C2CC2)n1
InChIInChI=1S/C16H18N2O3/c1-2-20-15(12-6-4-3-5-7-12)16-17-14(21-18-16)10-13(19)11-8-9-11/h3-7,11,15H,2,8-10H2,1H3
InChIKeyQNWMXZXWKNSBIK-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.72
Rot. Bonds7

About 1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone

1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 116780574) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID116780574
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCOC(c1ccccc1)c1noc(CC(=O)C2CC2)n1
InChIInChI=1S/C16H18N2O3/c1-2-20-15(12-6-4-3-5-7-12)16-17-14(21-18-16)10-13(19)11-8-9-11/h3-7,11,15H,2,8-10H2,1H3
InChIKeyQNWMXZXWKNSBIK-UHFFFAOYSA-N
XLogP2.72
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
ethyl 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 116744216
3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743875
cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323631
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116743922
(1S)-3-amino-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837365
[1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 116743869
3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
CID 116778251
[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490997
1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 55202009
1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 116732738

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (CID 116780574) is 1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is CCOC(c1ccccc1)c1noc(CC(=O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is QNWMXZXWKNSBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-20-15(12-6-4-3-5-7-12)16-17-14(21-18-16)10-13(19)11-8-9-11/h3-7,11,15H,2,8-10H2,1H3.
What are the key properties of 1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 116780574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).