N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide

C8H9N3O4S — CID 2948518

IUPACN-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)C1CCCO1
InChIInChI=1S/C8H9N3O4S/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h4-5H,1-3H2,(H,9,10,12)
InChIKeyMFWGPLVDBLCMBX-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.17
Rot. Bonds3

About N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide

N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide (PubChem CID 2948518) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide
PubChem CID2948518
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC NameN-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)C1CCCO1
InChIInChI=1S/C8H9N3O4S/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h4-5H,1-3H2,(H,9,10,12)
InChIKeyMFWGPLVDBLCMBX-UHFFFAOYSA-N
XLogP1.17
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
(1R)-N-(5-nitro-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 95402272
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
(2R)-N-[5-(tert-butylsulfamoyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 126829988
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301
N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide
CID 107681418
4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 102770367
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
CID 62213558
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 1143583

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide (CID 2948518) is N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide is O=C(Nc1ncc([N+](=O)[O-])s1)C1CCCO1.
What is the InChIKey of N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is MFWGPLVDBLCMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h4-5H,1-3H2,(H,9,10,12).
What are the key properties of N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide?
N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 243.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 2948518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).