4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide

C20H19N3O3 — CID 109049803

IUPAC4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-3-23(17-7-5-4-6-8-17)20(25)16-11-9-15(10-12-16)19(24)21-18-13-14(2)26-22-18/h4-13H,3H2,1-2H3,(H,21,22,24)
InChIKeyMCSAKXRVSCQHAB-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.90
Rot. Bonds5

About 4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide

4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109049803) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109049803
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-3-23(17-7-5-4-6-8-17)20(25)16-11-9-15(10-12-16)19(24)21-18-13-14(2)26-22-18/h4-13H,3H2,1-2H3,(H,21,22,24)
InChIKeyMCSAKXRVSCQHAB-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
2-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47121660
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide
CID 112854472
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048796
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624
5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109246079
4-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109220359

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide (CID 109049803) is 4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide is CCN(C(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1)c1ccccc1.
What is the InChIKey of 4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is MCSAKXRVSCQHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-23(17-7-5-4-6-8-17)20(25)16-11-9-15(10-12-16)19(24)21-18-13-14(2)26-22-18/h4-13H,3H2,1-2H3,(H,21,22,24).
What are the key properties of 4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide?
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109049803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).