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

C15H21N3O2 — CID 62852253

IUPACN-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(Cc2ccc(OC)cc2)no1
InChIInChI=1S/C15H21N3O2/c1-4-16-10-11(2)15-17-14(18-20-15)9-12-5-7-13(19-3)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyQPRJYJRPMAFZJJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds7

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

N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 62852253) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID62852253
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(Cc2ccc(OC)cc2)no1
InChIInChI=1S/C15H21N3O2/c1-4-16-10-11(2)15-17-14(18-20-15)9-12-5-7-13(19-3)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyQPRJYJRPMAFZJJ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 62852253) is N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is CCNCC(C)c1nc(Cc2ccc(OC)cc2)no1.
What is the InChIKey of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is QPRJYJRPMAFZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-16-10-11(2)15-17-14(18-20-15)9-12-5-7-13(19-3)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 62852253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).