3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide

C21H27N3O3 — CID 97338297

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide
SMILESCC(C)C[C@@H]1C[C@H](NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCO1
InChIInChI=1S/C21H27N3O3/c1-13(2)10-18-12-17(8-9-26-18)22-20(25)16-5-3-4-15(11-16)19-23-21(27-24-19)14-6-7-14/h3-5,11,13-14,17-18H,6-10,12H2,1-2H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyGBDRYSFGGLBQCB-QZTJIDSGSA-N
MW369.47 g/mol
LogP3.94
Rot. Bonds6

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide (PubChem CID 97338297) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide
PubChem CID97338297
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide
SMILESCC(C)C[C@@H]1C[C@H](NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCO1
InChIInChI=1S/C21H27N3O3/c1-13(2)10-18-12-17(8-9-26-18)22-20(25)16-5-3-4-15(11-16)19-23-21(27-24-19)14-6-7-14/h3-5,11,13-14,17-18H,6-10,12H2,1-2H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyGBDRYSFGGLBQCB-QZTJIDSGSA-N
XLogP3.94
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829153
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-propylsulfonylbenzamide
CID 99812815
tert-butyl (2S)-2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-methylbutanoate
CID 176584871
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 119046373
3-[5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 53006013
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
2-[4-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 126793733
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348552
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide
CID 50779088
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 125147195
(2R)-N-cycloheptyl-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 92880619

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide (CID 97338297) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide is CC(C)C[C@@H]1C[C@H](NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCO1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide?
The InChIKey is GBDRYSFGGLBQCB-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13(2)10-18-12-17(8-9-26-18)22-20(25)16-5-3-4-15(11-16)19-23-21(27-24-19)14-6-7-14/h3-5,11,13-14,17-18H,6-10,12H2,1-2H3,(H,22,25)/t17-,18-/m1/s1.
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide is sourced from PubChem (CID 97338297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).