N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide

C16H15N5O2S — CID 95921613

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2cc(C)on2)cc(-c2ccccn2)n1
InChIInChI=1S/C16H15N5O2S/c1-10-7-14(21-23-10)20-15(22)9-24-16-8-13(18-11(2)19-16)12-5-3-4-6-17-12/h3-8H,9H2,1-2H3,(H,20,21,22)
InChIKeyMVLBRVIBBBSNKS-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.87
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 95921613) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide
PubChem CID95921613
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2cc(C)on2)cc(-c2ccccn2)n1
InChIInChI=1S/C16H15N5O2S/c1-10-7-14(21-23-10)20-15(22)9-24-16-8-13(18-11(2)19-16)12-5-3-4-6-17-12/h3-8H,9H2,1-2H3,(H,20,21,22)
InChIKeyMVLBRVIBBBSNKS-UHFFFAOYSA-N
XLogP2.87
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide
CID 95921612
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7205956
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19630696
2-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30160191
6,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261395
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220680
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799430
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43817325
2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 648574
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7558961
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110614636

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide (CID 95921613) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2cc(C)on2)cc(-c2ccccn2)n1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is MVLBRVIBBBSNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-10-7-14(21-23-10)20-15(22)9-24-16-8-13(18-11(2)19-16)12-5-3-4-6-17-12/h3-8H,9H2,1-2H3,(H,20,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 341.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 95921613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).