2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide

C9H10N4O2S — CID 164879655

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc(=S)[nH][nH]2)on1
InChIInChI=1S/C9H10N4O2S/c1-5-2-6(15-13-5)3-8(14)10-7-4-9(16)12-11-7/h2,4H,3H2,1H3,(H3,10,11,12,14,16)
InChIKeyDEXGASHOAJLOPI-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.55
Rot. Bonds3

About 2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide (PubChem CID 164879655) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide
PubChem CID164879655
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc(=S)[nH][nH]2)on1
InChIInChI=1S/C9H10N4O2S/c1-5-2-6(15-13-5)3-8(14)10-7-4-9(16)12-11-7/h2,4H,3H2,1H3,(H3,10,11,12,14,16)
InChIKeyDEXGASHOAJLOPI-UHFFFAOYSA-N
XLogP1.55
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide (CID 164879655) is 2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide is Cc1cc(CC(=O)Nc2cc(=S)[nH][nH]2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide?
The InChIKey is DEXGASHOAJLOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5-2-6(15-13-5)3-8(14)10-7-4-9(16)12-11-7/h2,4H,3H2,1H3,(H3,10,11,12,14,16).
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide?
2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide has a molecular weight of 238.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide is sourced from PubChem (CID 164879655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).