2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide

C12H13N3O4 — CID 90515122

IUPAC2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)NC(=O)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C12H13N3O4/c1-7(2)13-10(16)8-6-19-12(14-8)15-11(17)9-4-3-5-18-9/h3-7H,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyPRPILBPZOBHERW-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.66
Rot. Bonds4

About 2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide

2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 90515122) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID90515122
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)NC(=O)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C12H13N3O4/c1-7(2)13-10(16)8-6-19-12(14-8)15-11(17)9-4-3-5-18-9/h3-7H,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyPRPILBPZOBHERW-UHFFFAOYSA-N
XLogP1.66
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515175
N-(3-acetylphenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907935
2-(furan-2-carbonylamino)-N-(4-sulfamoylphenyl)-1,3-oxazole-4-carboxamide
CID 90515186
2-(furan-2-carbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 90515219
2-(furan-2-carbonylamino)-N-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 90515253
ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 52907942
N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515189
N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515222
N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515090
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515250
N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]furan-2-carboxamide
CID 52907954
2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide
CID 90515091

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide (CID 90515122) is 2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)NC(=O)c1coc(NC(=O)c2ccco2)n1.
What is the InChIKey of 2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is PRPILBPZOBHERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7(2)13-10(16)8-6-19-12(14-8)15-11(17)9-4-3-5-18-9/h3-7H,1-2H3,(H,13,16)(H,14,15,17).
What are the key properties of 2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide?
2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).