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

C17H16N2O2S — CID 110642555

IUPACN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3cccs3)cc2)c(C)o1
InChIInChI=1S/C17H16N2O2S/c1-11-17(18-12(2)21-11)13-5-7-14(8-6-13)19-16(20)10-15-4-3-9-22-15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyVBMJCFPXYMVTQG-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.20
Rot. Bonds4

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

N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 110642555) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID110642555
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3cccs3)cc2)c(C)o1
InChIInChI=1S/C17H16N2O2S/c1-11-17(18-12(2)21-11)13-5-7-14(8-6-13)19-16(20)10-15-4-3-9-22-15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyVBMJCFPXYMVTQG-UHFFFAOYSA-N
XLogP4.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 803977
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110417065
N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
CID 42245990
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 17249186
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110675358
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110642564
2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea
CID 110642590
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112997181
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide (CID 110642555) is N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide is Cc1nc(-c2ccc(NC(=O)Cc3cccs3)cc2)c(C)o1.
What is the InChIKey of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is VBMJCFPXYMVTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-17(18-12(2)21-11)13-5-7-14(8-6-13)19-16(20)10-15-4-3-9-22-15/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 312.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110642555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).