N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C15H20N2O3S — CID 111463482

IUPACN-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCCC(O)(CC)CNC(=O)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C15H20N2O3S/c1-3-15(19,4-2)10-16-13(18)8-11-9-20-14(17-11)12-6-5-7-21-12/h5-7,9,19H,3-4,8,10H2,1-2H3,(H,16,18)
InChIKeyLKJYZDAEPZPHRB-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.61
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 111463482) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID111463482
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCCC(O)(CC)CNC(=O)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C15H20N2O3S/c1-3-15(19,4-2)10-16-13(18)8-11-9-20-14(17-11)12-6-5-7-21-12/h5-7,9,19H,3-4,8,10H2,1-2H3,(H,16,18)
InChIKeyLKJYZDAEPZPHRB-UHFFFAOYSA-N
XLogP2.61
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111481185
2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 119199569
(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119244415
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111486232
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 75419987
1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507637
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
2-[(3-methylphenyl)methyl]-3-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119243233
N-(2-methylpiperidin-4-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 120599740
2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119698131
3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 33313345

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 111463482) is N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is CCC(O)(CC)CNC(=O)Cc1coc(-c2cccs2)n1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is LKJYZDAEPZPHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-15(19,4-2)10-16-13(18)8-11-9-20-14(17-11)12-6-5-7-21-12/h5-7,9,19H,3-4,8,10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 308.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 111463482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).