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

C20H19N3O3 — CID 109047153

IUPAC4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)no1
InChIInChI=1S/C20H19N3O3/c1-14-12-18(22-26-14)21-19(24)16-8-10-17(11-9-16)20(25)23(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,22,24)
InChIKeyDWVXTJUMAHMARC-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.51
Rot. Bonds5

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

4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide (PubChem CID 109047153) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
PubChem CID109047153
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)no1
InChIInChI=1S/C20H19N3O3/c1-14-12-18(22-26-14)21-19(24)16-8-10-17(11-9-16)20(25)23(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,22,24)
InChIKeyDWVXTJUMAHMARC-UHFFFAOYSA-N
XLogP3.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-benzyl-N-methyl-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109060736
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109256874
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049803
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288
N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962380
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047105
5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109246079
3-[benzyl(methyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109064674
6-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109161118
4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 46477484

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide (CID 109047153) is 4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide is Cc1cc(NC(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)no1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The InChIKey is DWVXTJUMAHMARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-12-18(22-26-14)21-19(24)16-8-10-17(11-9-16)20(25)23(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,22,24).
What are the key properties of 4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).