3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline

C20H22N2O5 — CID 73349417

IUPAC3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
SMILESCOc1cc(NCc2ccc(OC)c(OC)c2OC)ccc1-c1cnco1
InChIInChI=1S/C20H22N2O5/c1-23-16-8-5-13(19(25-3)20(16)26-4)10-22-14-6-7-15(17(9-14)24-2)18-11-21-12-27-18/h5-9,11-12,22H,10H2,1-4H3
InChIKeyCTCKJXAIHWRHSY-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.99
Rot. Bonds8

About 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline

3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline (PubChem CID 73349417) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
PubChem CID73349417
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
SMILESCOc1cc(NCc2ccc(OC)c(OC)c2OC)ccc1-c1cnco1
InChIInChI=1S/C20H22N2O5/c1-23-16-8-5-13(19(25-3)20(16)26-4)10-22-14-6-7-15(17(9-14)24-2)18-11-21-12-27-18/h5-9,11-12,22H,10H2,1-4H3
InChIKeyCTCKJXAIHWRHSY-UHFFFAOYSA-N
XLogP3.99
TPSA74.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The IUPAC name of 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline (CID 73349417) is 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline.
What is the SMILES notation for 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The canonical SMILES for 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline is COc1cc(NCc2ccc(OC)c(OC)c2OC)ccc1-c1cnco1.
What is the InChIKey of 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The InChIKey is CTCKJXAIHWRHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-23-16-8-5-13(19(25-3)20(16)26-4)10-22-14-6-7-15(17(9-14)24-2)18-11-21-12-27-18/h5-9,11-12,22H,10H2,1-4H3.
What are the key properties of 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline has a molecular weight of 370.41 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,3-oxazol-5-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 73349417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).