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

C19H15N3O5 — CID 109050216

IUPAC1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)no1
InChIInChI=1S/C19H15N3O5/c1-11-8-17(22-27-11)21-19(24)13-4-2-12(3-5-13)18(23)20-14-6-7-15-16(9-14)26-10-25-15/h2-9H,10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyHNDZTXKMIQIOKA-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.22
Rot. Bonds4

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

1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide (PubChem CID 109050216) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
PubChem CID109050216
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)no1
InChIInChI=1S/C19H15N3O5/c1-11-8-17(22-27-11)21-19(24)13-4-2-12(3-5-13)18(23)20-14-6-7-15-16(9-14)26-10-25-15/h2-9H,10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyHNDZTXKMIQIOKA-UHFFFAOYSA-N
XLogP3.22
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
1-(1,3-benzodioxol-5-yl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea
CID 17265962
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40791076
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 46487660

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide (CID 109050216) is 1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide is Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)no1.
What is the InChIKey of 1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The InChIKey is HNDZTXKMIQIOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-11-8-17(22-27-11)21-19(24)13-4-2-12(3-5-13)18(23)20-14-6-7-15-16(9-14)26-10-25-15/h2-9H,10H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide has a molecular weight of 365.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109050216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).