N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

C14H18N2O2S — CID 16879449

IUPACN-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESCC(C)CCNC(=O)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C14H18N2O2S/c1-10(2)5-6-15-14(17)9-11-8-12(18-16-11)13-4-3-7-19-13/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,15,17)
InChIKeyXUPIVGIEDWWMMR-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.11
Rot. Bonds6

About N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (PubChem CID 16879449) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
PubChem CID16879449
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESCC(C)CCNC(=O)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C14H18N2O2S/c1-10(2)5-6-15-14(17)9-11-8-12(18-16-11)13-4-3-7-19-13/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,15,17)
InChIKeyXUPIVGIEDWWMMR-UHFFFAOYSA-N
XLogP3.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879446
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylbutyl)acetamide
CID 16878594
N-(1,2-oxazol-3-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879574
N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20996470
N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906303
N-(4-methyl-1,3-thiazol-2-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879571
N-(3-methoxypropyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906356
N-pyridin-3-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879560
N-(4-ethoxyphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879514
2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 107832419
N-(5-hydroxy-4-methylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 103861890
2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid
CID 170879419

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (CID 16879449) is N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is CC(C)CCNC(=O)Cc1cc(-c2cccs2)on1.
What is the InChIKey of N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The InChIKey is XUPIVGIEDWWMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(2)5-6-15-14(17)9-11-8-12(18-16-11)13-4-3-7-19-13/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,15,17).
What are the key properties of N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16879449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).