N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide

C12H13N3O2S — CID 47398883

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1cc(CNC(=O)CSc2ccncc2)no1
InChIInChI=1S/C12H13N3O2S/c1-9-6-10(15-17-9)7-14-12(16)8-18-11-2-4-13-5-3-11/h2-6H,7-8H2,1H3,(H,14,16)
InChIKeyYFNWHHUAADUPDW-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.79
Rot. Bonds5

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 47398883) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID47398883
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1cc(CNC(=O)CSc2ccncc2)no1
InChIInChI=1S/C12H13N3O2S/c1-9-6-10(15-17-9)7-14-12(16)8-18-11-2-4-13-5-3-11/h2-6H,7-8H2,1H3,(H,14,16)
InChIKeyYFNWHHUAADUPDW-UHFFFAOYSA-N
XLogP1.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide (CID 47398883) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide is Cc1cc(CNC(=O)CSc2ccncc2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is YFNWHHUAADUPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-9-6-10(15-17-9)7-14-12(16)8-18-11-2-4-13-5-3-11/h2-6H,7-8H2,1H3,(H,14,16).
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 263.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 47398883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).