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

C24H35N3O5 — CID 5039853

IUPAC2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(C(=O)N(CCC(C)C)Cc2nc(C(=O)NCCC(C)C)co2)c(OC)c1
InChIInChI=1S/C24H35N3O5/c1-16(2)9-11-25-23(28)20-15-32-22(26-20)14-27(12-10-17(3)4)24(29)19-8-7-18(30-5)13-21(19)31-6/h7-8,13,15-17H,9-12,14H2,1-6H3,(H,25,28)
InChIKeyVVOBWLUANRWXRS-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.16
Rot. Bonds12

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

2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide (PubChem CID 5039853) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is 2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
PubChem CID5039853
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Name2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(C(=O)N(CCC(C)C)Cc2nc(C(=O)NCCC(C)C)co2)c(OC)c1
InChIInChI=1S/C24H35N3O5/c1-16(2)9-11-25-23(28)20-15-32-22(26-20)14-27(12-10-17(3)4)24(29)19-8-7-18(30-5)13-21(19)31-6/h7-8,13,15-17H,9-12,14H2,1-6H3,(H,25,28)
InChIKeyVVOBWLUANRWXRS-UHFFFAOYSA-N
XLogP4.16
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

methyl 2-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766659
methyl 2-[[(2,4-dimethoxybenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197468
N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 1198181
methyl 2-[[(2-methoxybenzoyl)-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197504
2-[[(4-fluorobenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 5028125
N-butan-2-yl-2-[[butan-2-yl-(2,4-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 5128901
N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 1198175
methyl 2-[[(3-methoxybenzoyl)-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197503
2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 42766400
2-[[(4-butylbenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 4044856
N-(3-methylbutyl)-2-[[3-methylbutyl-(4-methyl-3-nitrobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3620421
N-(3-hydroxybutyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56713301

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide (CID 5039853) is 2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide is COc1ccc(C(=O)N(CCC(C)C)Cc2nc(C(=O)NCCC(C)C)co2)c(OC)c1.
What is the InChIKey of 2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
The InChIKey is VVOBWLUANRWXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-16(2)9-11-25-23(28)20-15-32-22(26-20)14-27(12-10-17(3)4)24(29)19-8-7-18(30-5)13-21(19)31-6/h7-8,13,15-17H,9-12,14H2,1-6H3,(H,25,28).
What are the key properties of 2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide?
2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.16, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5039853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).