3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide

C16H20N4O2 — CID 120829153

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C16H20N4O2/c1-10(17-2)9-18-15(21)13-5-3-4-12(8-13)14-19-16(22-20-14)11-6-7-11/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,18,21)
InChIKeyUEPJCRHJPXHWRX-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.95
Rot. Bonds6

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide (PubChem CID 120829153) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide
PubChem CID120829153
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C16H20N4O2/c1-10(17-2)9-18-15(21)13-5-3-4-12(8-13)14-19-16(22-20-14)11-6-7-11/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,18,21)
InChIKeyUEPJCRHJPXHWRX-UHFFFAOYSA-N
XLogP1.95
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-propylsulfonylbenzamide
CID 99812815
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 119046373
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide
CID 97338297
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
N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120828174
N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 111477761
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
CID 71870115
3-[5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 53006013
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
CID 166191116

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide (CID 120829153) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide?
The InChIKey is UEPJCRHJPXHWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(17-2)9-18-15(21)13-5-3-4-12(8-13)14-19-16(22-20-14)11-6-7-11/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,18,21).
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide has a molecular weight of 300.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 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-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 120829153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).