2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide

C21H37N3O3 — CID 42766400

IUPAC2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(CN(CCC(C)C)C(=O)CC(C)(C)C)n1
InChIInChI=1S/C21H37N3O3/c1-15(2)8-10-22-20(26)17-14-27-18(23-17)13-24(11-9-16(3)4)19(25)12-21(5,6)7/h14-16H,8-13H2,1-7H3,(H,22,26)
InChIKeyNMEUSQKEPMORAD-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.26
Rot. Bonds10

About 2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide

2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide (PubChem CID 42766400) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
PubChem CID42766400
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC Name2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(CN(CCC(C)C)C(=O)CC(C)(C)C)n1
InChIInChI=1S/C21H37N3O3/c1-15(2)8-10-22-20(26)17-14-27-18(23-17)13-24(11-9-16(3)4)19(25)12-21(5,6)7/h14-16H,8-13H2,1-7H3,(H,22,26)
InChIKeyNMEUSQKEPMORAD-UHFFFAOYSA-N
XLogP4.26
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-fluorobenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 5028125
N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 1198175
N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 1198181
2-[[(4-butylbenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 4044856
N-(3-methylbutyl)-2-[(3-methylbutylamino)methyl]-1,3-oxazole-4-carboxamide
CID 42766132
2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 5039853
N-(3-methylbutyl)-2-[[3-methylbutyl-(4-methyl-3-nitrobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3620421
methyl 2-[[3,3-dimethylbutanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5138437
2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 42766155
2-[[butanoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 4677141
methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3610732
N-(2-methylpropyl)-2-[[2-methylpropyl(pentanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 5015669

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide (CID 42766400) is 2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide is CC(C)CCNC(=O)c1coc(CN(CCC(C)C)C(=O)CC(C)(C)C)n1.
What is the InChIKey of 2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NMEUSQKEPMORAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-15(2)8-10-22-20(26)17-14-27-18(23-17)13-24(11-9-16(3)4)19(25)12-21(5,6)7/h14-16H,8-13H2,1-7H3,(H,22,26).
What are the key properties of 2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42766400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).