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

C19H12N4O4 — CID 42477453

IUPAC4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccno2)o1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H12N4O4/c24-16(12-4-2-1-3-5-12)13-6-8-14(9-7-13)17(25)21-19-23-22-18(26-19)15-10-11-20-27-15/h1-11H,(H,21,23,25)
InChIKeyWLDWJKLGAVLNLU-UHFFFAOYSA-N
MW360.33 g/mol
LogP3.21
Rot. Bonds5

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

4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 42477453) has the molecular formula C19H12N4O4 and a molecular weight of 360.33 g/mol. Its IUPAC name is 4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID42477453
Molecular FormulaC19H12N4O4
Molecular Weight360.33 g/mol
Exact Mass360.09
IUPAC Name4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccno2)o1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H12N4O4/c24-16(12-4-2-1-3-5-12)13-6-8-14(9-7-13)17(25)21-19-23-22-18(26-19)15-10-11-20-27-15/h1-11H,(H,21,23,25)
InChIKeyWLDWJKLGAVLNLU-UHFFFAOYSA-N
XLogP3.21
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861329
4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861371
4-(dimethylsulfamoyl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861297
3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861367
N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 42477526
N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 16861328
4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477459
4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603183
2,5-dimethyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
CID 16861426
2-(1,3-dioxoisoindol-2-yl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16861308
4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972074

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 42477453) is 4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccno2)o1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is WLDWJKLGAVLNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O4/c24-16(12-4-2-1-3-5-12)13-6-8-14(9-7-13)17(25)21-19-23-22-18(26-19)15-10-11-20-27-15/h1-11H,(H,21,23,25).
What are the key properties of 4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 360.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 42477453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).