N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline

C20H22N2O2 — CID 56665812

IUPACN-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline
SMILESCCOc1ccc(-c2nc(CN(C)c3ccc(C)cc3)co2)cc1
InChIInChI=1S/C20H22N2O2/c1-4-23-19-11-7-16(8-12-19)20-21-17(14-24-20)13-22(3)18-9-5-15(2)6-10-18/h5-12,14H,4,13H2,1-3H3
InChIKeyFSWIBPPPIVKEHX-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.69
Rot. Bonds6

About N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline

N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline (PubChem CID 56665812) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline
PubChem CID56665812
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline
SMILESCCOc1ccc(-c2nc(CN(C)c3ccc(C)cc3)co2)cc1
InChIInChI=1S/C20H22N2O2/c1-4-23-19-11-7-16(8-12-19)20-21-17(14-24-20)13-22(3)18-9-5-15(2)6-10-18/h5-12,14H,4,13H2,1-3H3
InChIKeyFSWIBPPPIVKEHX-UHFFFAOYSA-N
XLogP4.69
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56662391
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56672823
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylaniline
CID 56661731
4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole
CID 136564269
N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine
CID 56671957
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56664992
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenoxyethanamine
CID 56679919
2-(4-methylphenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-oxazole
CID 47023809
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline?
The IUPAC name of N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline (CID 56665812) is N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline.
What is the SMILES notation for N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline?
The canonical SMILES for N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline is CCOc1ccc(-c2nc(CN(C)c3ccc(C)cc3)co2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline?
The InChIKey is FSWIBPPPIVKEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-23-19-11-7-16(8-12-19)20-21-17(14-24-20)13-22(3)18-9-5-15(2)6-10-18/h5-12,14H,4,13H2,1-3H3.
What are the key properties of N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline?
N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline has a molecular weight of 322.41 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline is sourced from PubChem (CID 56665812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).