N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide

C16H18N4O5S — CID 2051187

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H18N4O5S/c21-14(17-16-19-18-15(25-16)12-1-2-12)11-3-5-13(6-4-11)26(22,23)20-7-9-24-10-8-20/h3-6,12H,1-2,7-10H2,(H,17,19,21)
InChIKeyITHLDVVYXKERBA-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.22
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2051187) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2051187
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H18N4O5S/c21-14(17-16-19-18-15(25-16)12-1-2-12)11-3-5-13(6-4-11)26(22,23)20-7-9-24-10-8-20/h3-6,12H,1-2,7-10H2,(H,17,19,21)
InChIKeyITHLDVVYXKERBA-UHFFFAOYSA-N
XLogP1.22
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4646426
4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4574435
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2051172
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 3562308
4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477459
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 43973183
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2051270
4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42110004
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 43972096
4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 61252319
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 41028239

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide (CID 2051187) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ITHLDVVYXKERBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c21-14(17-16-19-18-15(25-16)12-1-2-12)11-3-5-13(6-4-11)26(22,23)20-7-9-24-10-8-20/h3-6,12H,1-2,7-10H2,(H,17,19,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 378.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2051187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).