N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide

C15H9ClFN3O4 — CID 90515189

IUPACN-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C15H9ClFN3O4/c16-9-6-8(3-4-10(9)17)18-13(21)11-7-24-15(19-11)20-14(22)12-2-1-5-23-12/h1-7H,(H,18,21)(H,19,20,22)
InChIKeyDRJVCKKRKFLQBM-UHFFFAOYSA-N
MW349.71 g/mol
LogP3.56
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 90515189) has the molecular formula C15H9ClFN3O4 and a molecular weight of 349.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID90515189
Molecular FormulaC15H9ClFN3O4
Molecular Weight349.71 g/mol
Exact Mass349.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C15H9ClFN3O4/c16-9-6-8(3-4-10(9)17)18-13(21)11-7-24-15(19-11)20-14(22)12-2-1-5-23-12/h1-7H,(H,18,21)(H,19,20,22)
InChIKeyDRJVCKKRKFLQBM-UHFFFAOYSA-N
XLogP3.56
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.71
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515175
N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515222
2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 52907899
N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide
CID 170213760
2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 90515122
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 52690705
N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide
CID 26167264
N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 23097996
N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide
CID 110859335
N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46508069

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 90515189) is N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1coc(NC(=O)c2ccco2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is DRJVCKKRKFLQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O4/c16-9-6-8(3-4-10(9)17)18-13(21)11-7-24-15(19-11)20-14(22)12-2-1-5-23-12/h1-7H,(H,18,21)(H,19,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 349.71 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).