[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine

C12H15N3O2 — CID 82475517

IUPAC[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCCc1ccc(OC)c(-c2nnc(CN)o2)c1
InChIInChI=1S/C12H15N3O2/c1-3-8-4-5-10(16-2)9(6-8)12-15-14-11(7-13)17-12/h4-6H,3,7,13H2,1-2H3
InChIKeyCTAUXLXRKRUFND-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.77
Rot. Bonds4

About [5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 82475517) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID82475517
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCCc1ccc(OC)c(-c2nnc(CN)o2)c1
InChIInChI=1S/C12H15N3O2/c1-3-8-4-5-10(16-2)9(6-8)12-15-14-11(7-13)17-12/h4-6H,3,7,13H2,1-2H3
InChIKeyCTAUXLXRKRUFND-UHFFFAOYSA-N
XLogP1.77
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine 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

[5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070228
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole
CID 82184372
[5-(2,5-dichloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 96669361
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82133053
1-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138105
ethyl 5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619183
[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82471864
2-(3-chloropropyl)-5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 39382548
2-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163424
N-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138524

Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 82475517) is [5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine is CCc1ccc(OC)c(-c2nnc(CN)o2)c1.
What is the InChIKey of [5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is CTAUXLXRKRUFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-8-4-5-10(16-2)9(6-8)12-15-14-11(7-13)17-12/h4-6H,3,7,13H2,1-2H3.
What are the key properties of [5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 233.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 82475517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).