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

C20H22N2O4 — CID 91182234

IUPACN,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline
SMILESCOc1cc(OC)c(OC)c(-c2cc(-c3ccc(N(C)C)cc3)no2)c1
InChIInChI=1S/C20H22N2O4/c1-22(2)14-8-6-13(7-9-14)17-12-18(26-21-17)16-10-15(23-3)11-19(24-4)20(16)25-5/h6-12H,1-5H3
InChIKeyFRYFUUFRLZBNPG-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.10
Rot. Bonds6

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

N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline (PubChem CID 91182234) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline
PubChem CID91182234
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline
SMILESCOc1cc(OC)c(OC)c(-c2cc(-c3ccc(N(C)C)cc3)no2)c1
InChIInChI=1S/C20H22N2O4/c1-22(2)14-8-6-13(7-9-14)17-12-18(26-21-17)16-10-15(23-3)11-19(24-4)20(16)25-5/h6-12H,1-5H3
InChIKeyFRYFUUFRLZBNPG-UHFFFAOYSA-N
XLogP4.10
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-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-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 90718317
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole
CID 91564289
3,5-bis(2,4-dimethoxyphenyl)-1,2-oxazole
CID 19586357
2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
CID 11337247
4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline
CID 173360474
4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178080
2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
CID 91148701
3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91549721
4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline
CID 112798184

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline (CID 91182234) is N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline is COc1cc(OC)c(OC)c(-c2cc(-c3ccc(N(C)C)cc3)no2)c1.
What is the InChIKey of N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline?
The InChIKey is FRYFUUFRLZBNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-22(2)14-8-6-13(7-9-14)17-12-18(26-21-17)16-10-15(23-3)11-19(24-4)20(16)25-5/h6-12H,1-5H3.
What are the key properties of N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline?
N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline has a molecular weight of 354.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline is sourced from PubChem (CID 91182234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).