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

C14H19N3O — CID 103901524

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(NCCc1nc(C)no1)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-3-13(12-7-5-4-6-8-12)15-10-9-14-16-11(2)17-18-14/h4-8,13,15H,3,9-10H2,1-2H3
InChIKeyCQKBDKVWSDJIAW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.66
Rot. Bonds6

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

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine (PubChem CID 103901524) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine
PubChem CID103901524
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(NCCc1nc(C)no1)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-3-13(12-7-5-4-6-8-12)15-10-9-14-16-11(2)17-18-14/h4-8,13,15H,3,9-10H2,1-2H3
InChIKeyCQKBDKVWSDJIAW-UHFFFAOYSA-N
XLogP2.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-phenylpropanenitrile
CID 106417143
1-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 102612965
1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 103901588
(2R,3S)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylbutan-2-amine
CID 97065414
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-phenylpropanoic acid
CID 106416924
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 103901521
1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901575
1-(4-ethoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901530
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60882283
2-(3,3-diphenylpropyl)-1-ethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111233567
(E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine
CID 103647920
1-(5-ethylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 75515317

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine (CID 103901524) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine is CCC(NCCc1nc(C)no1)c1ccccc1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine?
The InChIKey is CQKBDKVWSDJIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-13(12-7-5-4-6-8-12)15-10-9-14-16-11(2)17-18-14/h4-8,13,15H,3,9-10H2,1-2H3.
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 103901524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).