2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate

C16H14N3O3S- — CID 59384579

IUPAC2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
SMILESCC(C)c1ncc(-c2nc(CC(=O)[O-])c(-c3ccsc3)o2)cn1
InChIInChI=1S/C16H15N3O3S/c1-9(2)15-17-6-11(7-18-15)16-19-12(5-13(20)21)14(22-16)10-3-4-23-8-10/h3-4,6-9H,5H2,1-2H3,(H,20,21)/p-1
InChIKeyVOYOJEZMWQHMLB-UHFFFAOYSA-M
MW328.37 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate

2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate (PubChem CID 59384579) has the molecular formula C16H14N3O3S- and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
PubChem CID59384579
Molecular FormulaC16H14N3O3S-
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Name2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
SMILESCC(C)c1ncc(-c2nc(CC(=O)[O-])c(-c3ccsc3)o2)cn1
InChIInChI=1S/C16H15N3O3S/c1-9(2)15-17-6-11(7-18-15)16-19-12(5-13(20)21)14(22-16)10-3-4-23-8-10/h3-4,6-9H,5H2,1-2H3,(H,20,21)/p-1
InChIKeyVOYOJEZMWQHMLB-UHFFFAOYSA-M
XLogP2.28
TPSA91.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate with MolForge

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Related Compounds

2-[2-(4-methylsulfanylphenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
CID 59384476
ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
CID 14091134
2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
CID 13105454
2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 59384758
N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 111484186
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95272119
3-ethoxy-3-[4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
CID 68883601
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 120998250
4-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 100640260
2-(2-isoquinolin-3-yl-5-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 59384743
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119598840
2-[5-(5-chlorothiophen-2-yl)-2-[4-(methylsulfanylmethyl)phenyl]-1,3-oxazol-4-yl]acetate
CID 59384707

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The IUPAC name of 2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate (CID 59384579) is 2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for 2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for 2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate is CC(C)c1ncc(-c2nc(CC(=O)[O-])c(-c3ccsc3)o2)cn1.
What is the InChIKey of 2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The InChIKey is VOYOJEZMWQHMLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15N3O3S/c1-9(2)15-17-6-11(7-18-15)16-19-12(5-13(20)21)14(22-16)10-3-4-23-8-10/h3-4,6-9H,5H2,1-2H3,(H,20,21)/p-1.
What are the key properties of 2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate has a molecular weight of 328.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-ylpyrimidin-5-yl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 59384579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).