(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate

C16H15N3O4S — CID 166211711

IUPAC(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate
SMILESCc1nc(C)c(CC(=O)OCc2cnc(-c3cccs3)o2)c(=O)[nH]1
InChIInChI=1S/C16H15N3O4S/c1-9-12(15(21)19-10(2)18-9)6-14(20)22-8-11-7-17-16(23-11)13-4-3-5-24-13/h3-5,7H,6,8H2,1-2H3,(H,18,19,21)
InChIKeyNQSDMFCSZNPAPH-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.39
Rot. Bonds5

About (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate

(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate (PubChem CID 166211711) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate
PubChem CID166211711
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate
SMILESCc1nc(C)c(CC(=O)OCc2cnc(-c3cccs3)o2)c(=O)[nH]1
InChIInChI=1S/C16H15N3O4S/c1-9-12(15(21)19-10(2)18-9)6-14(20)22-8-11-7-17-16(23-11)13-4-3-5-24-13/h3-5,7H,6,8H2,1-2H3,(H,18,19,21)
InChIKeyNQSDMFCSZNPAPH-UHFFFAOYSA-N
XLogP2.39
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate (CID 166211711) is (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate is Cc1nc(C)c(CC(=O)OCc2cnc(-c3cccs3)o2)c(=O)[nH]1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate?
The InChIKey is NQSDMFCSZNPAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-9-12(15(21)19-10(2)18-9)6-14(20)22-8-11-7-17-16(23-11)13-4-3-5-24-13/h3-5,7H,6,8H2,1-2H3,(H,18,19,21).
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate?
(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate has a molecular weight of 345.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 166211711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).