N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C13H16N2O3S — CID 115744558

IUPACN-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(O)CNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H16N2O3S/c1-8(2)10(16)7-14-13(17)9-6-11(18-15-9)12-4-3-5-19-12/h3-6,8,10,16H,7H2,1-2H3,(H,14,17)
InChIKeyCUQMMCFOLWJKHY-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.15
Rot. Bonds5

About N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 115744558) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID115744558
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(O)CNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H16N2O3S/c1-8(2)10(16)7-14-13(17)9-6-11(18-15-9)12-4-3-5-19-12/h3-6,8,10,16H,7H2,1-2H3,(H,14,17)
InChIKeyCUQMMCFOLWJKHY-UHFFFAOYSA-N
XLogP2.15
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 103722645
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71934309
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
(2S)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 61137275
(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 79010933
N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 78121925
N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 35577892
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 106353110
methyl 3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 43422688
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 20899204
3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 43356462
N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 42821209

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 115744558) is N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CC(C)C(O)CNC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is CUQMMCFOLWJKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-8(2)10(16)7-14-13(17)9-6-11(18-15-9)12-4-3-5-19-12/h3-6,8,10,16H,7H2,1-2H3,(H,14,17).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 115744558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).