2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline

C12H15N3O2 — CID 104783442

IUPAC2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCCc1nnc(-c2ccc(N)c(OC)c2)o1
InChIInChI=1S/C12H15N3O2/c1-3-4-11-14-15-12(17-11)8-5-6-9(13)10(7-8)16-2/h5-7H,3-4,13H2,1-2H3
InChIKeyFCSSDEDWIWDURG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.28
Rot. Bonds4

About 2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline

2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 104783442) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID104783442
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCCc1nnc(-c2ccc(N)c(OC)c2)o1
InChIInChI=1S/C12H15N3O2/c1-3-4-11-14-15-12(17-11)8-5-6-9(13)10(7-8)16-2/h5-7H,3-4,13H2,1-2H3
InChIKeyFCSSDEDWIWDURG-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline 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-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 113452620
N-[2-[5-(3-methoxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163795
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
2-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163085
4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39400194
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
N-[2-[5-(3-methoxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163806
2-(4-butoxy-3-methoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 16769325
2-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469941
2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole
CID 81283796
N-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 81285040

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline (CID 104783442) is 2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline is CCCc1nnc(-c2ccc(N)c(OC)c2)o1.
What is the InChIKey of 2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is FCSSDEDWIWDURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-4-11-14-15-12(17-11)8-5-6-9(13)10(7-8)16-2/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline?
2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 233.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 104783442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).