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

C20H29N3O3S — CID 1198175

IUPACN-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(CN(CCC(C)C)C(=O)c2cccs2)n1
InChIInChI=1S/C20H29N3O3S/c1-14(2)7-9-21-19(24)16-13-26-18(22-16)12-23(10-8-15(3)4)20(25)17-6-5-11-27-17/h5-6,11,13-15H,7-10,12H2,1-4H3,(H,21,24)
InChIKeyPFWKTWNFQISXOC-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.20
Rot. Bonds10

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

N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 1198175) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID1198175
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(CN(CCC(C)C)C(=O)c2cccs2)n1
InChIInChI=1S/C20H29N3O3S/c1-14(2)7-9-21-19(24)16-13-26-18(22-16)12-23(10-8-15(3)4)20(25)17-6-5-11-27-17/h5-6,11,13-15H,7-10,12H2,1-4H3,(H,21,24)
InChIKeyPFWKTWNFQISXOC-UHFFFAOYSA-N
XLogP4.20
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810859
N-(2-methoxyethyl)-2-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3570299
2-[[(4-fluorobenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 5028125
N-(3-methylbutyl)-2-[[3-methylbutyl(naphthalene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 1198181
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
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
N-(3-methylbutyl)-2-[(3-methylbutylamino)methyl]-1,3-oxazole-4-carboxamide
CID 42766132
2-[[(2-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3891590
methyl 2-[[(2-methoxybenzoyl)-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197504
2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 4221423

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide (CID 1198175) is N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide is CC(C)CCNC(=O)c1coc(CN(CCC(C)C)C(=O)c2cccs2)n1.
What is the InChIKey of N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PFWKTWNFQISXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-14(2)7-9-21-19(24)16-13-26-18(22-16)12-23(10-8-15(3)4)20(25)17-6-5-11-27-17/h5-6,11,13-15H,7-10,12H2,1-4H3,(H,21,24).
What are the key properties of N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[[3-methylbutyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 1198175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).