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

C20H22N2O4 — CID 11035614

IUPACN,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline
SMILESCOc1cc(-c2ncoc2-c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O4/c1-22(2)15-8-6-13(7-9-15)19-18(21-12-26-19)14-10-16(23-3)20(25-5)17(11-14)24-4/h6-12H,1-5H3
InChIKeySALRJLZPIJWXOE-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.10
Rot. Bonds6

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

N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline (PubChem CID 11035614) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline
PubChem CID11035614
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline
SMILESCOc1cc(-c2ncoc2-c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O4/c1-22(2)15-8-6-13(7-9-15)19-18(21-12-26-19)14-10-16(23-3)20(25-5)17(11-14)24-4/h6-12H,1-5H3
InChIKeySALRJLZPIJWXOE-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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline (CID 11035614) is N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline is COc1cc(-c2ncoc2-c2ccc(N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline?
The InChIKey is SALRJLZPIJWXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-22(2)15-8-6-13(7-9-15)19-18(21-12-26-19)14-10-16(23-3)20(25-5)17(11-14)24-4/h6-12H,1-5H3.
What are the key properties of N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline?
N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-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-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]aniline is sourced from PubChem (CID 11035614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).