1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

C15H19N3O2 — CID 106789559

IUPAC1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOc1cc(C)ccc1-c1noc(C(C)(N)C2CC2)n1
InChIInChI=1S/C15H19N3O2/c1-9-4-7-11(12(8-9)19-3)13-17-14(20-18-13)15(2,16)10-5-6-10/h4,7-8,10H,5-6,16H2,1-3H3
InChIKeyPMRZJEPZUVIELE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.64
Rot. Bonds4

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

1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 106789559) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID106789559
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOc1cc(C)ccc1-c1noc(C(C)(N)C2CC2)n1
InChIInChI=1S/C15H19N3O2/c1-9-4-7-11(12(8-9)19-3)13-17-14(20-18-13)15(2,16)10-5-6-10/h4,7-8,10H,5-6,16H2,1-3H3
InChIKeyPMRZJEPZUVIELE-UHFFFAOYSA-N
XLogP2.64
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 106789732
1-cyclopropyl-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64669679
1-cyclopropyl-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64667686
1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667280
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106789680
5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 106789413
3-(2-methoxy-4-methylphenyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 106789490
1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64668290
(1S)-2-amino-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114007041
1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667279
2-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 106789780
(1S,2S)-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 106789684

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 106789559) is 1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is COc1cc(C)ccc1-c1noc(C(C)(N)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is PMRZJEPZUVIELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-4-7-11(12(8-9)19-3)13-17-14(20-18-13)15(2,16)10-5-6-10/h4,7-8,10H,5-6,16H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 273.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 106789559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).