1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine

C16H21N3O — CID 63352306

IUPAC1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1cc(C)cc(Cc2noc(CC(N)C3CC3)n2)c1
InChIInChI=1S/C16H21N3O/c1-10-5-11(2)7-12(6-10)8-15-18-16(20-19-15)9-14(17)13-3-4-13/h5-7,13-14H,3-4,8-9,17H2,1-2H3
InChIKeyGCQZPRPYFDEVKL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds5

About 1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine

1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 63352306) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID63352306
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1cc(C)cc(Cc2noc(CC(N)C3CC3)n2)c1
InChIInChI=1S/C16H21N3O/c1-10-5-11(2)7-12(6-10)8-15-18-16(20-19-15)9-14(17)13-3-4-13/h5-7,13-14H,3-4,8-9,17H2,1-2H3
InChIKeyGCQZPRPYFDEVKL-UHFFFAOYSA-N
XLogP2.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine
CID 63347141
1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63892201
1-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63346153
1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 64560082
[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 63758819
1-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 63352437
1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 107502112
1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64672446
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524442
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66030799
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115415957
1-cyclopropyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 55200681

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 63352306) is 1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is Cc1cc(C)cc(Cc2noc(CC(N)C3CC3)n2)c1.
What is the InChIKey of 1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is GCQZPRPYFDEVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-5-11(2)7-12(6-10)8-15-18-16(20-19-15)9-14(17)13-3-4-13/h5-7,13-14H,3-4,8-9,17H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 63352306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).