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

C26H33N3O3 — CID 1198181

IUPACN-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(CN(CCC(C)C)C(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C26H33N3O3/c1-18(2)11-13-27-25(30)23-17-32-24(28-23)16-29(14-12-19(3)4)26(31)22-10-9-20-7-5-6-8-21(20)15-22/h5-10,15,17-19H,11-14,16H2,1-4H3,(H,27,30)
InChIKeySJYDTQQYHVLKSY-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.29
Rot. Bonds10

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

N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 1198181) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID1198181
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(CN(CCC(C)C)C(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C26H33N3O3/c1-18(2)11-13-27-25(30)23-17-32-24(28-23)16-29(14-12-19(3)4)26(31)22-10-9-20-7-5-6-8-21(20)15-22/h5-10,15,17-19H,11-14,16H2,1-4H3,(H,27,30)
InChIKeySJYDTQQYHVLKSY-UHFFFAOYSA-N
XLogP5.29
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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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-(4-methyl-3-nitrobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3620421
2-[[(4-butylbenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 4044856
N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 1198175
2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 5039853
2-[[3,3-dimethylbutanoyl(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 42766400
methyl 2-[[(3-methoxybenzoyl)-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197503
2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 4221423
N-(3-methylbutyl)-2-[(3-methylbutylamino)methyl]-1,3-oxazole-4-carboxamide
CID 42766132
N-(2-methoxyethyl)-2-[[2-methoxyethyl-(4-methylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4037478
2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3902815
methyl 2-[[3-methylbutyl-(4-nitrobenzoyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197489

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide (CID 1198181) is N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide is CC(C)CCNC(=O)c1coc(CN(CCC(C)C)C(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SJYDTQQYHVLKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18(2)11-13-27-25(30)23-17-32-24(28-23)16-29(14-12-19(3)4)26(31)22-10-9-20-7-5-6-8-21(20)15-22/h5-10,15,17-19H,11-14,16H2,1-4H3,(H,27,30).
What are the key properties of N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 1198181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).