4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide

C22H17N3O4 — CID 90603183

IUPAC4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cc(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)c(C)o1
InChIInChI=1S/C22H17N3O4/c1-13-12-18(14(2)28-13)21-24-25-22(29-21)23-20(27)17-10-8-16(9-11-17)19(26)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,25,27)
InChIKeyNVZGNJDCVLDUGC-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.43
Rot. Bonds5

About 4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 90603183) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID90603183
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cc(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)c(C)o1
InChIInChI=1S/C22H17N3O4/c1-13-12-18(14(2)28-13)21-24-25-22(29-21)23-20(27)17-10-8-16(9-11-17)19(26)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,25,27)
InChIKeyNVZGNJDCVLDUGC-UHFFFAOYSA-N
XLogP4.43
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90603114
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4-diethoxybenzamide
CID 90603088
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 90603090
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide
CID 90603045
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
CID 56764401
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide
CID 90603123
4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477453
2,4-dichloro-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603103
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 90603085
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972074
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 90603204
N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686399

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 90603183) is 4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1cc(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)c(C)o1.
What is the InChIKey of 4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is NVZGNJDCVLDUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-13-12-18(14(2)28-13)21-24-25-22(29-21)23-20(27)17-10-8-16(9-11-17)19(26)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,25,27).
What are the key properties of 4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 387.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 90603183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).