N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide

C17H14N4O2S — CID 7549526

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide
SMILESCc1cc(NC(=O)CSC2=Nc3cccc4cccc(c34)N2)no1
InChIInChI=1S/C17H14N4O2S/c1-10-8-14(21-23-10)20-15(22)9-24-17-18-12-6-2-4-11-5-3-7-13(19-17)16(11)12/h2-8H,9H2,1H3,(H,18,19)(H,20,21,22)
InChIKeyPEGSBRTVOWVZMA-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.92
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide (PubChem CID 7549526) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide
PubChem CID7549526
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide
SMILESCc1cc(NC(=O)CSC2=Nc3cccc4cccc(c34)N2)no1
InChIInChI=1S/C17H14N4O2S/c1-10-8-14(21-23-10)20-15(22)9-24-17-18-12-6-2-4-11-5-3-7-13(19-17)16(11)12/h2-8H,9H2,1H3,(H,18,19)(H,20,21,22)
InChIKeyPEGSBRTVOWVZMA-UHFFFAOYSA-N
XLogP3.92
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2-(1H-perimidin-2-ylsulfanyl)acetamide
CID 7681164
2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2952796
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9106149
2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 648574
8-[[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22785161
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799430
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19318016
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1451049
N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
CID 6491291
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 53489619
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide (CID 7549526) is N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide is Cc1cc(NC(=O)CSC2=Nc3cccc4cccc(c34)N2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide?
The InChIKey is PEGSBRTVOWVZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-10-8-14(21-23-10)20-15(22)9-24-17-18-12-6-2-4-11-5-3-7-13(19-17)16(11)12/h2-8H,9H2,1H3,(H,18,19)(H,20,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide has a molecular weight of 338.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 7549526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).