2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide

C15H20N2O4S — CID 122162567

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC(OCCO)c1cccs1
InChIInChI=1S/C15H20N2O4S/c1-10-12(11(2)21-17-10)8-15(19)16-9-13(20-6-5-18)14-4-3-7-22-14/h3-4,7,13,18H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyZECQICVKTNWGOJ-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.76
Rot. Bonds8

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide (PubChem CID 122162567) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide
PubChem CID122162567
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC(OCCO)c1cccs1
InChIInChI=1S/C15H20N2O4S/c1-10-12(11(2)21-17-10)8-15(19)16-9-13(20-6-5-18)14-4-3-7-22-14/h3-4,7,13,18H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyZECQICVKTNWGOJ-UHFFFAOYSA-N
XLogP1.76
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 30599068
N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 131703311
1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea
CID 122160654
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 119254605
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 78772602
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287476
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 111119841
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]acetamide
CID 51658024
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 119525893
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
CID 94668730

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide (CID 122162567) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide is Cc1noc(C)c1CC(=O)NCC(OCCO)c1cccs1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is ZECQICVKTNWGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-10-12(11(2)21-17-10)8-15(19)16-9-13(20-6-5-18)14-4-3-7-22-14/h3-4,7,13,18H,5-6,8-9H2,1-2H3,(H,16,19).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 324.40 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 122162567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).