2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide

C15H18N4O2 — CID 71922381

IUPAC2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)cccc1NCc1noc(C2CC2)n1
InChIInChI=1S/C15H18N4O2/c1-9-4-3-5-11(13(9)14(20)16-2)17-8-12-18-15(21-19-12)10-6-7-10/h3-5,10,17H,6-8H2,1-2H3,(H,16,20)
InChIKeyRYMCDYYVCSMPJD-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.23
Rot. Bonds5

About 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide (PubChem CID 71922381) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide
PubChem CID71922381
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)cccc1NCc1noc(C2CC2)n1
InChIInChI=1S/C15H18N4O2/c1-9-4-3-5-11(13(9)14(20)16-2)17-8-12-18-15(21-19-12)10-6-7-10/h3-5,10,17H,6-8H2,1-2H3,(H,16,20)
InChIKeyRYMCDYYVCSMPJD-UHFFFAOYSA-N
XLogP2.23
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide?
The IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide (CID 71922381) is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide?
The canonical SMILES for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide is CNC(=O)c1c(C)cccc1NCc1noc(C2CC2)n1.
What is the InChIKey of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide?
The InChIKey is RYMCDYYVCSMPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-4-3-5-11(13(9)14(20)16-2)17-8-12-18-15(21-19-12)10-6-7-10/h3-5,10,17H,6-8H2,1-2H3,(H,16,20).
What are the key properties of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide?
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide has a molecular weight of 286.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-N,6-dimethylbenzamide is sourced from PubChem (CID 71922381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).