1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine

C19H23N3O2 — CID 86922268

IUPAC1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(C(NCc2nc(-c3ccco3)no2)C(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-4-14-7-9-15(10-8-14)18(13(2)3)20-12-17-21-19(22-24-17)16-6-5-11-23-16/h5-11,13,18,20H,4,12H2,1-3H3
InChIKeyKJXDTRZUKHKZIK-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.38
Rot. Bonds7

About 1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine

1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 86922268) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID86922268
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(C(NCc2nc(-c3ccco3)no2)C(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-4-14-7-9-15(10-8-14)18(13(2)3)20-12-17-21-19(22-24-17)16-6-5-11-23-16/h5-11,13,18,20H,4,12H2,1-3H3
InChIKeyKJXDTRZUKHKZIK-UHFFFAOYSA-N
XLogP4.38
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 16566320
1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 86919174
(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95158981
1-(2,5-dimethylfuran-3-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 86789733
(2S,3R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95613864
(2R,3R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95613865
N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine
CID 78818411
(1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 97333448
2-methyl-1-[4-(2-methylpropyl)phenyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 78836201
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
CID 50956111
N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36705195
6-[(1S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 97333638

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 86922268) is 1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine is CCc1ccc(C(NCc2nc(-c3ccco3)no2)C(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KJXDTRZUKHKZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-14-7-9-15(10-8-14)18(13(2)3)20-12-17-21-19(22-24-17)16-6-5-11-23-16/h5-11,13,18,20H,4,12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 325.41 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 86922268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).