1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine

C15H21N3O2 — CID 103901588

IUPAC1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1nc(C)no1)c1ccccc1OC
InChIInChI=1S/C15H21N3O2/c1-4-13(12-7-5-6-8-14(12)19-3)16-10-9-15-17-11(2)18-20-15/h5-8,13,16H,4,9-10H2,1-3H3
InChIKeyKFVWOHSXTZVKED-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.67
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine

1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 103901588) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
PubChem CID103901588
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1nc(C)no1)c1ccccc1OC
InChIInChI=1S/C15H21N3O2/c1-4-13(12-7-5-6-8-14(12)19-3)16-10-9-15-17-11(2)18-20-15/h5-8,13,16H,4,9-10H2,1-3H3
InChIKeyKFVWOHSXTZVKED-UHFFFAOYSA-N
XLogP2.67
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60882283
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine
CID 103901524
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 102612965
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-phenylpropanenitrile
CID 106417143
N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
CID 115324466
1-(2-methoxyphenyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 47087362
1-(4-ethoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901530
1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61210525
(2R,3S)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylbutan-2-amine
CID 97065414
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (CID 103901588) is 1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is CCC(NCCc1nc(C)no1)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is KFVWOHSXTZVKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-13(12-7-5-6-8-14(12)19-3)16-10-9-15-17-11(2)18-20-15/h5-8,13,16H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103901588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).