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

C15H19N3O2 — CID 61497144

IUPAC1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCc2noc(C3CC3)n2)c(C(C)N)c1
InChIInChI=1S/C15H19N3O2/c1-9-3-6-13(12(7-9)10(2)16)19-8-14-17-15(20-18-14)11-4-5-11/h3,6-7,10-11H,4-5,8,16H2,1-2H3
InChIKeySKZUSAZZJCSVGW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.85
Rot. Bonds5

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

1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine (PubChem CID 61497144) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
PubChem CID61497144
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCc2noc(C3CC3)n2)c(C(C)N)c1
InChIInChI=1S/C15H19N3O2/c1-9-3-6-13(12(7-9)10(2)16)19-8-14-17-15(20-18-14)11-4-5-11/h3,6-7,10-11H,4-5,8,16H2,1-2H3
InChIKeySKZUSAZZJCSVGW-UHFFFAOYSA-N
XLogP2.85
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 102946181
(1R)-1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 78936809
(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 78936782
(1S)-1-[5-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 63367192
1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 102948199
1-[5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 62370024
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 61495662
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640960
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid
CID 61497495
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151
2-[5-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495574

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine?
The IUPAC name of 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine (CID 61497144) is 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine.
What is the SMILES notation for 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine?
The canonical SMILES for 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine is Cc1ccc(OCc2noc(C3CC3)n2)c(C(C)N)c1.
What is the InChIKey of 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine?
The InChIKey is SKZUSAZZJCSVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-3-6-13(12(7-9)10(2)16)19-8-14-17-15(20-18-14)11-4-5-11/h3,6-7,10-11H,4-5,8,16H2,1-2H3.
What are the key properties of 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine?
1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine has a molecular weight of 273.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine is sourced from PubChem (CID 61497144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).