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

C15H25N5O3S — CID 164879654

IUPACcyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide
SMILESC1CCCC1.CNO.Cc1cc(CC(=O)Nc2cc(=S)[nH][nH]2)on1
InChIInChI=1S/C9H10N4O2S.C5H10.CH5NO/c1-5-2-6(15-13-5)3-8(14)10-7-4-9(16)12-11-7;1-2-4-5-3-1;1-2-3/h2,4H,3H2,1H3,(H3,10,11,12,14,16);1-5H2;2-3H,1H3
InChIKeyCIBKYAMCUNUHCX-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.10
Rot. Bonds3

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

cyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide (PubChem CID 164879654) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is cyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide.

Molecular Properties

Compound Namecyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide
PubChem CID164879654
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Namecyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide
SMILESC1CCCC1.CNO.Cc1cc(CC(=O)Nc2cc(=S)[nH][nH]2)on1
InChIInChI=1S/C9H10N4O2S.C5H10.CH5NO/c1-5-2-6(15-13-5)3-8(14)10-7-4-9(16)12-11-7;1-2-4-5-3-1;1-2-3/h2,4H,3H2,1H3,(H3,10,11,12,14,16);1-5H2;2-3H,1H3
InChIKeyCIBKYAMCUNUHCX-UHFFFAOYSA-N
XLogP3.10
TPSA118.97 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide?
The IUPAC name of cyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide (CID 164879654) is cyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide.
What is the SMILES notation for cyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide?
The canonical SMILES for cyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide is C1CCCC1.CNO.Cc1cc(CC(=O)Nc2cc(=S)[nH][nH]2)on1.
What is the InChIKey of cyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide?
The InChIKey is CIBKYAMCUNUHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S.C5H10.CH5NO/c1-5-2-6(15-13-5)3-8(14)10-7-4-9(16)12-11-7;1-2-4-5-3-1;1-2-3/h2,4H,3H2,1H3,(H3,10,11,12,14,16);1-5H2;2-3H,1H3.
What are the key properties of cyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide?
cyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;N-methylhydroxylamine;2-(3-methyl-1,2-oxazol-5-yl)-N-(5-sulfanylidene-1,2-dihydropyrazol-3-yl)acetamide is sourced from PubChem (CID 164879654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).