1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide

C20H24N6O4 — CID 166219715

IUPAC1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
SMILESCCC(NC(=O)c1ccc(C(=O)NC(CC)c2noc(C)n2)cc1)c1noc(C)n1
InChIInChI=1S/C20H24N6O4/c1-5-15(17-21-11(3)29-25-17)23-19(27)13-7-9-14(10-8-13)20(28)24-16(6-2)18-22-12(4)30-26-18/h7-10,15-16H,5-6H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyOSSUNRGEMYJCCS-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.83
Rot. Bonds8

About 1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide (PubChem CID 166219715) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
PubChem CID166219715
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC Name1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
SMILESCCC(NC(=O)c1ccc(C(=O)NC(CC)c2noc(C)n2)cc1)c1noc(C)n1
InChIInChI=1S/C20H24N6O4/c1-5-15(17-21-11(3)29-25-17)23-19(27)13-7-9-14(10-8-13)20(28)24-16(6-2)18-22-12(4)30-26-18/h7-10,15-16H,5-6H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyOSSUNRGEMYJCCS-UHFFFAOYSA-N
XLogP2.83
TPSA136.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]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

3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
CID 95786298
N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 95786459
N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide
CID 95786288
3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
CID 71914707
1-[(2S)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 97096543
(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
CID 100726211
N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 130626350
1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 97242045
(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide
CID 97330137
1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566590
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566580
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111631282

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide (CID 166219715) is 1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide is CCC(NC(=O)c1ccc(C(=O)NC(CC)c2noc(C)n2)cc1)c1noc(C)n1.
What is the InChIKey of 1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide?
The InChIKey is OSSUNRGEMYJCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-5-15(17-21-11(3)29-25-17)23-19(27)13-7-9-14(10-8-13)20(28)24-16(6-2)18-22-12(4)30-26-18/h7-10,15-16H,5-6H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide has a molecular weight of 412.45 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 166219715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).