N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C13H11N3O3S — CID 47138249

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccco3)on2)sc1C
InChIInChI=1S/C13H11N3O3S/c1-7-8(2)20-13(14-7)15-12(17)9-6-11(19-16-9)10-4-3-5-18-10/h3-6H,1-2H3,(H,14,15,17)
InChIKeyZCZJJOFQYYEIJY-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.26
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 47138249) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID47138249
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccco3)on2)sc1C
InChIInChI=1S/C13H11N3O3S/c1-7-8(2)20-13(14-7)15-12(17)9-6-11(19-16-9)10-4-3-5-18-10/h3-6H,1-2H3,(H,14,15,17)
InChIKeyZCZJJOFQYYEIJY-UHFFFAOYSA-N
XLogP3.26
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3244522
5-(furan-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole-3-carboxamide
CID 78927797
5-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622496
5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide
CID 121082941
5-(furan-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,2-oxazole-3-carboxamide
CID 90607549
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205846
5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide
CID 24663749
5-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-1,2-oxazole-3-carboxamide
CID 122301502
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164
5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 121030121

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 47138249) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is Cc1nc(NC(=O)c2cc(-c3ccco3)on2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZCZJJOFQYYEIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-7-8(2)20-13(14-7)15-12(17)9-6-11(19-16-9)10-4-3-5-18-10/h3-6H,1-2H3,(H,14,15,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47138249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).