(4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine

C12H15N3O — CID 82024267

IUPAC(4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCCc1ccc(C(N)c2nnc(C)o2)cc1
InChIInChI=1S/C12H15N3O/c1-3-9-4-6-10(7-5-9)11(13)12-15-14-8(2)16-12/h4-7,11H,3,13H2,1-2H3
InChIKeyJMTJKOQZPWZHFI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.99
Rot. Bonds3

About (4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine

(4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 82024267) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID82024267
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCCc1ccc(C(N)c2nnc(C)o2)cc1
InChIInChI=1S/C12H15N3O/c1-3-9-4-6-10(7-5-9)11(13)12-15-14-8(2)16-12/h4-7,11H,3,13H2,1-2H3
InChIKeyJMTJKOQZPWZHFI-UHFFFAOYSA-N
XLogP1.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethylphenyl)-(5-methyl-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

3-(4-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82020848
furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 55269817
3-(4-ethylphenyl)butan-2-amine
CID 66439374
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
CID 117071668
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559043
(2,5-dimethylphenyl)-(4-ethylphenyl)methanamine
CID 43198611
(4-ethylphenyl)-pyridazin-4-ylmethanamine
CID 105121539
chloro-(4-ethylphenyl)methanamine
CID 116947710
2,3-dihydrofuran-5-yl-(4-ethylphenyl)methanamine
CID 102651207
(4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine
CID 78923574

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of (4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine (CID 82024267) is (4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for (4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for (4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine is CCc1ccc(C(N)c2nnc(C)o2)cc1.
What is the InChIKey of (4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is JMTJKOQZPWZHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-9-4-6-10(7-5-9)11(13)12-15-14-8(2)16-12/h4-7,11H,3,13H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine?
(4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 82024267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).