(2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate

C16H17N5O3S — CID 58904993

IUPAC(2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
SMILESCC1(COC(=O)CSc2nccc(-c3ccccn3)n2)COC(N)=N1
InChIInChI=1S/C16H17N5O3S/c1-16(10-24-14(17)21-16)9-23-13(22)8-25-15-19-7-5-12(20-15)11-4-2-3-6-18-11/h2-7H,8-10H2,1H3,(H2,17,21)
InChIKeyLDPSVDDJVAPRAE-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.28
Rot. Bonds6

About (2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate

(2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate (PubChem CID 58904993) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is (2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Name(2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
PubChem CID58904993
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name(2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
SMILESCC1(COC(=O)CSc2nccc(-c3ccccn3)n2)COC(N)=N1
InChIInChI=1S/C16H17N5O3S/c1-16(10-24-14(17)21-16)9-23-13(22)8-25-15-19-7-5-12(20-15)11-4-2-3-6-18-11/h2-7H,8-10H2,1H3,(H2,17,21)
InChIKeyLDPSVDDJVAPRAE-UHFFFAOYSA-N
XLogP1.28
TPSA112.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-methoxyethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905005
2-(diacetylamino)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904917
propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate
CID 58904978
2-(dimethylcarbamoylsulfanyl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904819
(2,2,3,3-tetrafluorocyclobutyl) 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905042
3-(propanoylamino)propyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904853
(2-oxo-1,3-diazinan-5-yl) 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904977
3-acetyloxybutan-2-yl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905046
2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904910
ethane;oxan-3-yl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 142164830
N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58904928
ethane;(2,2,2-trifluoro-1-phosphanylethyl) 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 142164815

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate?
The IUPAC name of (2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate (CID 58904993) is (2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for (2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for (2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate is CC1(COC(=O)CSc2nccc(-c3ccccn3)n2)COC(N)=N1.
What is the InChIKey of (2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate?
The InChIKey is LDPSVDDJVAPRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-16(10-24-14(17)21-16)9-23-13(22)8-25-15-19-7-5-12(20-15)11-4-2-3-6-18-11/h2-7H,8-10H2,1H3,(H2,17,21).
What are the key properties of (2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate?
(2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate has a molecular weight of 359.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-5H-1,3-oxazol-4-yl)methyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 58904993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).