N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide

C17H16N4O4 — CID 90515175

IUPACN-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2coc(NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C17H16N4O4/c1-21(2)12-7-5-11(6-8-12)18-15(22)13-10-25-17(19-13)20-16(23)14-4-3-9-24-14/h3-10H,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyOMIMGDWFXSFDLZ-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.84
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 90515175) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID90515175
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2coc(NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C17H16N4O4/c1-21(2)12-7-5-11(6-8-12)18-15(22)13-10-25-17(19-13)20-16(23)14-4-3-9-24-14/h3-10H,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyOMIMGDWFXSFDLZ-UHFFFAOYSA-N
XLogP2.84
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-carbonylamino)-N-(4-sulfamoylphenyl)-1,3-oxazole-4-carboxamide
CID 90515186
N-(3-acetylphenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907935
N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515189
2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 90515122
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515250
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
6-N-[4-(dimethylamino)phenyl]-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097185
N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515222
N-[4-[[3-chloro-5-(dimethylamino)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 57243648
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(dimethylsulfamoyl)phenyl]furan-2-carboxamide
CID 2672857

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 90515175) is N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide is CN(C)c1ccc(NC(=O)c2coc(NC(=O)c3ccco3)n2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is OMIMGDWFXSFDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-21(2)12-7-5-11(6-8-12)18-15(22)13-10-25-17(19-13)20-16(23)14-4-3-9-24-14/h3-10H,1-2H3,(H,18,22)(H,19,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).