N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

C20H19N3O2 — CID 25093474

IUPACN-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2cccc(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1
InChIInChI=1S/C20H19N3O2/c1-13-22-23-20(25-13)18-4-2-3-17(11-18)15-7-9-16(10-8-15)19(24)21-12-14-5-6-14/h2-4,7-11,14H,5-6,12H2,1H3,(H,21,24)
InChIKeyLOQFPSAYBYTGOA-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.85
Rot. Bonds5

About N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 25093474) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID25093474
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2cccc(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1
InChIInChI=1S/C20H19N3O2/c1-13-22-23-20(25-13)18-4-2-3-17(11-18)15-7-9-16(10-8-15)19(24)21-12-14-5-6-14/h2-4,7-11,14H,5-6,12H2,1H3,(H,21,24)
InChIKeyLOQFPSAYBYTGOA-UHFFFAOYSA-N
XLogP3.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 25093474) is N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2cccc(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is LOQFPSAYBYTGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-22-23-20(25-13)18-4-2-3-17(11-18)15-7-9-16(10-8-15)19(24)21-12-14-5-6-14/h2-4,7-11,14H,5-6,12H2,1H3,(H,21,24).
What are the key properties of N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 25093474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).