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

C16H19N3O2 — CID 91907181

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCc2noc(C3CC3)n2)cc1C
InChIInChI=1S/C16H19N3O2/c1-10-3-4-13(9-11(10)2)15(20)17-8-7-14-18-16(21-19-14)12-5-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,17,20)
InChIKeyRYXLRFJQEIOXMP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.54
Rot. Bonds5

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide (PubChem CID 91907181) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide
PubChem CID91907181
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCc2noc(C3CC3)n2)cc1C
InChIInChI=1S/C16H19N3O2/c1-10-3-4-13(9-11(10)2)15(20)17-8-7-14-18-16(21-19-14)12-5-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,17,20)
InChIKeyRYXLRFJQEIOXMP-UHFFFAOYSA-N
XLogP2.54
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide (CID 91907181) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCc2noc(C3CC3)n2)cc1C.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide?
The InChIKey is RYXLRFJQEIOXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-3-4-13(9-11(10)2)15(20)17-8-7-14-18-16(21-19-14)12-5-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 91907181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).