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

C16H15N5O6S — CID 42477459

IUPAC4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccno2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H15N5O6S/c22-14(18-16-20-19-15(26-16)13-5-6-17-27-13)11-1-3-12(4-2-11)28(23,24)21-7-9-25-10-8-21/h1-6H,7-10H2,(H,18,20,22)
InChIKeyLHWZXBAGVQKNES-UHFFFAOYSA-N
MW405.39 g/mol
LogP1.00
Rot. Bonds5

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

4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 42477459) has the molecular formula C16H15N5O6S and a molecular weight of 405.39 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID42477459
Molecular FormulaC16H15N5O6S
Molecular Weight405.39 g/mol
Exact Mass405.07
IUPAC Name4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccno2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H15N5O6S/c22-14(18-16-20-19-15(26-16)13-5-6-17-27-13)11-1-3-12(4-2-11)28(23,24)21-7-9-25-10-8-21/h1-6H,7-10H2,(H,18,20,22)
InChIKeyLHWZXBAGVQKNES-UHFFFAOYSA-N
XLogP1.00
TPSA140.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 43972096
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
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2051187
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 41028239
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4646426
1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16861405
4-[methyl(phenyl)sulfamoyl]-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861329
4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477453
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16826893
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 43973183

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 42477459) is 4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccno2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is LHWZXBAGVQKNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O6S/c22-14(18-16-20-19-15(26-16)13-5-6-17-27-13)11-1-3-12(4-2-11)28(23,24)21-7-9-25-10-8-21/h1-6H,7-10H2,(H,18,20,22).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 405.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 42477459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).