N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide

C8H10N2O4S — CID 110689494

IUPACN-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cocn1
InChIInChI=1S/C8H10N2O4S/c11-8(7-3-14-5-9-7)10-6-1-2-15(12,13)4-6/h3,5-6H,1-2,4H2,(H,10,11)
InChIKeyCUKKXBGKACCAQF-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.41
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide (PubChem CID 110689494) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide
PubChem CID110689494
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cocn1
InChIInChI=1S/C8H10N2O4S/c11-8(7-3-14-5-9-7)10-6-1-2-15(12,13)4-6/h3,5-6H,1-2,4H2,(H,10,11)
InChIKeyCUKKXBGKACCAQF-UHFFFAOYSA-N
XLogP-0.41
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1,3-oxazole-4-carboxamide
CID 110689453
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287275
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N-(1,1-dioxothiolan-3-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91628610
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
N-(1,1-dioxothiolan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110852773
N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30789067
2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109303004
N-(1,1-dioxothiolan-3-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691884
N-(1,1-dioxothiolan-3-yl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338681
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide (CID 110689494) is N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cocn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is CUKKXBGKACCAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c11-8(7-3-14-5-9-7)10-6-1-2-15(12,13)4-6/h3,5-6H,1-2,4H2,(H,10,11).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 230.24 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110689494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).