4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline

C18H19N3O4 — CID 118373092

IUPAC4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline
SMILESCOc1ccc(-c2ocnc2-c2cc(OC)c(N)c(OC)c2)cc1N
InChIInChI=1S/C18H19N3O4/c1-22-13-5-4-10(6-12(13)19)18-17(21-9-25-18)11-7-14(23-2)16(20)15(8-11)24-3/h4-9H,19-20H2,1-3H3
InChIKeyHGWPXQYKYQWBDX-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.20
Rot. Bonds5

About 4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline

4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline (PubChem CID 118373092) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline.

Molecular Properties

Compound Name4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline
PubChem CID118373092
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline
SMILESCOc1ccc(-c2ocnc2-c2cc(OC)c(N)c(OC)c2)cc1N
InChIInChI=1S/C18H19N3O4/c1-22-13-5-4-10(6-12(13)19)18-17(21-9-25-18)11-7-14(23-2)16(20)15(8-11)24-3/h4-9H,19-20H2,1-3H3
InChIKeyHGWPXQYKYQWBDX-UHFFFAOYSA-N
XLogP3.20
TPSA105.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline 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

4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole
CID 71766618
4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole
CID 21408543
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
CID 141261437
5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 10937379
5-(3,4-dimethoxyphenyl)-4-phenyl-1,3-oxazole;2-sulfanylpropanoic acid
CID 21409057
4-(3-bromo-5-methoxy-4-methylsulfanylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole
CID 71766036
2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline
CID 115023002
2-methoxy-5-(2,4,6-trimethylphenyl)aniline
CID 54971573
4-(3-amino-4-methoxyphenyl)benzene-1,3-diamine
CID 22062010
2-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 23075532
3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol
CID 90115164

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline?
The IUPAC name of 4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline (CID 118373092) is 4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline.
What is the SMILES notation for 4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline?
The canonical SMILES for 4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline is COc1ccc(-c2ocnc2-c2cc(OC)c(N)c(OC)c2)cc1N.
What is the InChIKey of 4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline?
The InChIKey is HGWPXQYKYQWBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-22-13-5-4-10(6-12(13)19)18-17(21-9-25-18)11-7-14(23-2)16(20)15(8-11)24-3/h4-9H,19-20H2,1-3H3.
What are the key properties of 4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline?
4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline has a molecular weight of 341.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline is sourced from PubChem (CID 118373092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).