4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

C23H26N2O4 — CID 16867237

IUPAC4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1ccc(-c2cc(CNC(=O)c3ccc(C(C)(C)C)cc3)no2)cc1OC
InChIInChI=1S/C23H26N2O4/c1-23(2,3)17-9-6-15(7-10-17)22(26)24-14-18-13-20(29-25-18)16-8-11-19(27-4)21(12-16)28-5/h6-13H,14H2,1-5H3,(H,24,26)
InChIKeyPAPSSNPBYXAWCO-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.59
Rot. Bonds6

About 4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 16867237) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID16867237
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1ccc(-c2cc(CNC(=O)c3ccc(C(C)(C)C)cc3)no2)cc1OC
InChIInChI=1S/C23H26N2O4/c1-23(2,3)17-9-6-15(7-10-17)22(26)24-14-18-13-20(29-25-18)16-8-11-19(27-4)21(12-16)28-5/h6-13H,14H2,1-5H3,(H,24,26)
InChIKeyPAPSSNPBYXAWCO-UHFFFAOYSA-N
XLogP4.59
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]naphthalene-2-carboxamide
CID 16867283
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
CID 16867321
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867364
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 6492243
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-fluorobenzamide
CID 16867253
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopentanecarboxamide
CID 16867224
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 16867314
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16867345
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
CID 16867294

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 16867237) is 4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is COc1ccc(-c2cc(CNC(=O)c3ccc(C(C)(C)C)cc3)no2)cc1OC.
What is the InChIKey of 4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is PAPSSNPBYXAWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-23(2,3)17-9-6-15(7-10-17)22(26)24-14-18-13-20(29-25-18)16-8-11-19(27-4)21(12-16)28-5/h6-13H,14H2,1-5H3,(H,24,26).
What are the key properties of 4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 16867237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).