1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine

C16H23N3O2 — CID 63326210

IUPAC1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine
SMILESCCc1nc(COc2ccc(C)cc2CC(N)CC)no1
InChIInChI=1S/C16H23N3O2/c1-4-13(17)9-12-8-11(3)6-7-14(12)20-10-15-18-16(5-2)21-19-15/h6-8,13H,4-5,9-10,17H2,1-3H3
InChIKeyPSXNLEFLAOBSHY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.80
Rot. Bonds7

About 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine

1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine (PubChem CID 63326210) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine
PubChem CID63326210
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine
SMILESCCc1nc(COc2ccc(C)cc2CC(N)CC)no1
InChIInChI=1S/C16H23N3O2/c1-4-13(17)9-12-8-11(3)6-7-14(12)20-10-15-18-16(5-2)21-19-15/h6-8,13H,4-5,9-10,17H2,1-3H3
InChIKeyPSXNLEFLAOBSHY-UHFFFAOYSA-N
XLogP2.80
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methanamine
CID 63322856
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326409
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640960
1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine
CID 55201689
3-[(2-bromo-4-methylphenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 54959293
N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine
CID 63327138
1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 63325984
N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
CID 61497220
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 61494511
1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60908429
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine?
The IUPAC name of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine (CID 63326210) is 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine is CCc1nc(COc2ccc(C)cc2CC(N)CC)no1.
What is the InChIKey of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine?
The InChIKey is PSXNLEFLAOBSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-13(17)9-12-8-11(3)6-7-14(12)20-10-15-18-16(5-2)21-19-15/h6-8,13H,4-5,9-10,17H2,1-3H3.
What are the key properties of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine?
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine is sourced from PubChem (CID 63326210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).