1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide

C21H21N3O3 — CID 109049837

IUPAC1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2)c(C)c1
InChIInChI=1S/C21H21N3O3/c1-12-9-13(2)19(14(3)10-12)23-21(26)17-7-5-16(6-8-17)20(25)22-18-11-15(4)27-24-18/h5-11H,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyPBIQIWJUTDJOMU-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.41
Rot. Bonds4

About 1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide

1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049837) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049837
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2)c(C)c1
InChIInChI=1S/C21H21N3O3/c1-12-9-13(2)19(14(3)10-12)23-21(26)17-7-5-16(6-8-17)20(25)22-18-11-15(4)27-24-18/h5-11H,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyPBIQIWJUTDJOMU-UHFFFAOYSA-N
XLogP4.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092978
N-(5-methyl-1,2-oxazol-3-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198762
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849685
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048796
1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109048706
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109336610
4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 48845732
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide (CID 109049837) is 1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide is Cc1cc(C)c(NC(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2)c(C)c1.
What is the InChIKey of 1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is PBIQIWJUTDJOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-12-9-13(2)19(14(3)10-12)23-21(26)17-7-5-16(6-8-17)20(25)22-18-11-15(4)27-24-18/h5-11H,1-4H3,(H,23,26)(H,22,24,25).
What are the key properties of 1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).