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

C14H15N3O2 — CID 47063647

IUPAC1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2nc(C3CC3)no2)c1
InChIInChI=1S/C14H15N3O2/c1-9(18)11-3-2-4-12(7-11)15-8-13-16-14(17-19-13)10-5-6-10/h2-4,7,10,15H,5-6,8H2,1H3
InChIKeyMRTOVQPJADVICV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.76
Rot. Bonds5

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

1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone (PubChem CID 47063647) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone
PubChem CID47063647
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2nc(C3CC3)no2)c1
InChIInChI=1S/C14H15N3O2/c1-9(18)11-3-2-4-12(7-11)15-8-13-16-14(17-19-13)10-5-6-10/h2-4,7,10,15H,5-6,8H2,1H3
InChIKeyMRTOVQPJADVICV-UHFFFAOYSA-N
XLogP2.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47063641
1-[3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]ethanone
CID 51225071
N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
CID 118788592
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide
CID 118787519
N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 126790892
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile
CID 47283180
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,6-dimethylphenoxy)aniline
CID 71937113
4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 64981819
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 47088144
1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
CID 75471143
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
CID 53057007
(E)-3-(2-chlorophenyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide
CID 98476326

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone (CID 47063647) is 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone is CC(=O)c1cccc(NCc2nc(C3CC3)no2)c1.
What is the InChIKey of 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone?
The InChIKey is MRTOVQPJADVICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(18)11-3-2-4-12(7-11)15-8-13-16-14(17-19-13)10-5-6-10/h2-4,7,10,15H,5-6,8H2,1H3.
What are the key properties of 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone?
1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone has a molecular weight of 257.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone is sourced from PubChem (CID 47063647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).