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

C15H21N3O — CID 55124679

IUPACN-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNC(CC)c1nnc(Cc2ccccc2C)o1
InChIInChI=1S/C15H21N3O/c1-4-13(16-5-2)15-18-17-14(19-15)10-12-9-7-6-8-11(12)3/h6-9,13,16H,4-5,10H2,1-3H3
InChIKeyFYQIQKDTRNYCMN-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.03
Rot. Bonds6

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

N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 55124679) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID55124679
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNC(CC)c1nnc(Cc2ccccc2C)o1
InChIInChI=1S/C15H21N3O/c1-4-13(16-5-2)15-18-17-14(19-15)10-12-9-7-6-8-11(12)3/h6-9,13,16H,4-5,10H2,1-3H3
InChIKeyFYQIQKDTRNYCMN-UHFFFAOYSA-N
XLogP3.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-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

Related Compounds

N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 55124400
N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62858439
N-ethyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62858603
N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62366775
1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 63799994
2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164351
N-ethyl-1-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 114822856
1-[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857789
1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 103405529
1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164268
N-ethyl-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153346
1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62857282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 55124679) is N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine is CCNC(CC)c1nnc(Cc2ccccc2C)o1.
What is the InChIKey of N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is FYQIQKDTRNYCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-13(16-5-2)15-18-17-14(19-15)10-12-9-7-6-8-11(12)3/h6-9,13,16H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 55124679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).