N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide

C13H16N2O2S — CID 110646267

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1noc(C)c1CCNC(=O)Cc1cccs1
InChIInChI=1S/C13H16N2O2S/c1-9-12(10(2)17-15-9)5-6-14-13(16)8-11-4-3-7-18-11/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyPZINCALLKZADCS-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 110646267) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID110646267
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1noc(C)c1CCNC(=O)Cc1cccs1
InChIInChI=1S/C13H16N2O2S/c1-9-12(10(2)17-15-9)5-6-14-13(16)8-11-4-3-7-18-11/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyPZINCALLKZADCS-UHFFFAOYSA-N
XLogP2.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71789714
2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 119778984
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111764426
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356765
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 78806436
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78807173
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18133754
2-(4-methyl-1,3-thiazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110679612
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646333

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide (CID 110646267) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide is Cc1noc(C)c1CCNC(=O)Cc1cccs1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is PZINCALLKZADCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-12(10(2)17-15-9)5-6-14-13(16)8-11-4-3-7-18-11/h3-4,7H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 264.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110646267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).