5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C22H29N3O5 — CID 23940608

IUPAC5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCC(CC)N(Cc1cc(C(=O)NCC(C)C)no1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H29N3O5/c1-5-16(6-2)25(22(27)15-7-8-19-20(9-15)29-13-28-19)12-17-10-18(24-30-17)21(26)23-11-14(3)4/h7-10,14,16H,5-6,11-13H2,1-4H3,(H,23,26)
InChIKeyOTOGZXDDTKYBQT-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.62
Rot. Bonds9

About 5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 23940608) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID23940608
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCC(CC)N(Cc1cc(C(=O)NCC(C)C)no1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H29N3O5/c1-5-16(6-2)25(22(27)15-7-8-19-20(9-15)29-13-28-19)12-17-10-18(24-30-17)21(26)23-11-14(3)4/h7-10,14,16H,5-6,11-13H2,1-4H3,(H,23,26)
InChIKeyOTOGZXDDTKYBQT-UHFFFAOYSA-N
XLogP3.62
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide 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-ylmethyl)-5-[[benzoyl(pentan-3-yl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23796256
5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23768938
N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23818720
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23876360
5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23960033
N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 120651877
2-[(1,3-benzodioxole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220302
2-[(1,3-benzodioxole-5-carbonylamino)methyl]butanoic acid
CID 65217974
5-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181171
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzyl(3-methylbutanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23935975
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 25306558

Frequently Asked Questions

What is the IUPAC name of 5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 23940608) is 5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CCC(CC)N(Cc1cc(C(=O)NCC(C)C)no1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OTOGZXDDTKYBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-5-16(6-2)25(22(27)15-7-8-19-20(9-15)29-13-28-19)12-17-10-18(24-30-17)21(26)23-11-14(3)4/h7-10,14,16H,5-6,11-13H2,1-4H3,(H,23,26).
What are the key properties of 5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23940608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).