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Oxazole-5-carboxamide

CAT: 0127-OR1065496-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1065496-01Size:100 mg
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CAS Number
158178-93-9
MDL Number
MFCD04114933
Purity
96%
Smiles
O=C(C1=CN=CO1)N

Chemical Information

1,3-Oxazole-5-carboxamide
CAS Number158178-93-9
PubChem CID22318809
IUPAC Name1,3-oxazole-5-carboxamide
Molecular FormulaC4H4N2O2
Molecular Weight112.09
XLogP-0.5
Topological Polar Surface Area69.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity104
SMILES
C1=C(OC=N1)C(=O)N
InChI
InChI=1S/C4H4N2O2/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7)
InChIKey
MXNFUCNDPLBTMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Oxazole-5-carboxamide
CAS: 158178-93-9
CID: 22318809
Formula: C4H4N2O2
MW: 112.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.09
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass112.027277375
Monoisotopic Mass112.027277375
Topological Polar Surface Area69.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity104
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
EQC16152-015-Amino-1,2-oxazole-3-carboxamide
JBD32798-015-Sulfamoyl-1,2-oxazole-3-carboxamide
RJC32049-015- (Methoxymethyl) -1,2-oxazole-3-carboxamide
QZB61230-015-Methyl-1,3-oxazole-4-carboxamide
XKA77314-013-Chloro-1,2-oxazole-5-carboxamide
QEB78392-015- (Aminomethyl) -1,2-oxazole-3-carboxamide
VDA298765-Amino-1,2-oxazole-4-carboxamide
RG-M202501-013-Methyl-1,2-Oxazole-5-Carboxamide
YTB35648-013-Ethyl-5-methyl-1,2-oxazole-4-carboxamide
JH2697685-amino-3-methyl-1,2-oxazole-4-carboxamide

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