N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide

C10H13N3O3S — CID 91902538

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESCc1cc(NC(=O)C(=S)N2CCOCC2)no1
InChIInChI=1S/C10H13N3O3S/c1-7-6-8(12-16-7)11-9(14)10(17)13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H,11,12,14)
InChIKeyVXLJQHXTCZQBKA-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.58
Rot. Bonds1

About N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide (PubChem CID 91902538) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
PubChem CID91902538
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESCc1cc(NC(=O)C(=S)N2CCOCC2)no1
InChIInChI=1S/C10H13N3O3S/c1-7-6-8(12-16-7)11-9(14)10(17)13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H,11,12,14)
InChIKeyVXLJQHXTCZQBKA-UHFFFAOYSA-N
XLogP0.58
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-morpholin-4-ylethanone
CID 108994230
N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 112507096
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588555
N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133449
N-(5-methyl-1,2-oxazol-3-yl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103878
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
CID 167813849
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
5-[(2-morpholin-4-yl-2-sulfanylideneacetyl)amino]benzene-1,3-dicarboxylic acid
CID 91902474
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
2-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110249123
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
CID 130735467
N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 59738066

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide (CID 91902538) is N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide is Cc1cc(NC(=O)C(=S)N2CCOCC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The InChIKey is VXLJQHXTCZQBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-7-6-8(12-16-7)11-9(14)10(17)13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H,11,12,14).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide has a molecular weight of 255.30 g/mol, XLogP of 0.58, 1 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)-2-morpholin-4-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 91902538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).