2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide

C12H13N3O4 — CID 121111146

IUPAC2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1coc(NC(=O)c2cc(C)oc2C)n1
InChIInChI=1S/C12H13N3O4/c1-6-4-8(7(2)19-6)10(16)15-12-14-9(5-18-12)11(17)13-3/h4-5H,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyXVPLRNVBIUDIDA-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.50
Rot. Bonds3

About 2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide

2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 121111146) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID121111146
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1coc(NC(=O)c2cc(C)oc2C)n1
InChIInChI=1S/C12H13N3O4/c1-6-4-8(7(2)19-6)10(16)15-12-14-9(5-18-12)11(17)13-3/h4-5H,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyXVPLRNVBIUDIDA-UHFFFAOYSA-N
XLogP1.50
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
CID 71780995
2,5-dimethyl-N-(5-methyl-2-pyridinyl)furan-3-carboxamide
CID 18106811
2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
CID 24655014
2,5-dimethyl-N-pyridin-2-ylfuran-3-carboxamide
CID 35034898
N-[2-(dimethylamino)pyrimidin-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 122297954
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 83093523
N-(2-methoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 122301541
2,5-dimethyl-N-(3-methyl-2-pyridinyl)furan-3-carboxamide
CID 25344560
2,5-dimethyl-N-pyridin-3-ylfuran-3-carboxamide
CID 1225414
N-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549834

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide (CID 121111146) is 2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide is CNC(=O)c1coc(NC(=O)c2cc(C)oc2C)n1.
What is the InChIKey of 2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is XVPLRNVBIUDIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-6-4-8(7(2)19-6)10(16)15-12-14-9(5-18-12)11(17)13-3/h4-5H,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide?
2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylfuran-3-carbonyl)amino]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 121111146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).