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

C21H21N3O2 — CID 25093475

IUPACN-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2cccc(-c3ccc(C(=O)NCC4CC4)cc3C)c2)o1
InChIInChI=1S/C21H21N3O2/c1-13-10-17(20(25)22-12-15-6-7-15)8-9-19(13)16-4-3-5-18(11-16)21-24-23-14(2)26-21/h3-5,8-11,15H,6-7,12H2,1-2H3,(H,22,25)
InChIKeyZOUMQGXEYGSCKD-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.16
Rot. Bonds5

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

N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 25093475) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID25093475
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2cccc(-c3ccc(C(=O)NCC4CC4)cc3C)c2)o1
InChIInChI=1S/C21H21N3O2/c1-13-10-17(20(25)22-12-15-6-7-15)8-9-19(13)16-4-3-5-18(11-16)21-24-23-14(2)26-21/h3-5,8-11,15H,6-7,12H2,1-2H3,(H,22,25)
InChIKeyZOUMQGXEYGSCKD-UHFFFAOYSA-N
XLogP4.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 25093475) is N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2cccc(-c3ccc(C(=O)NCC4CC4)cc3C)c2)o1.
What is the InChIKey of N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is ZOUMQGXEYGSCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-10-17(20(25)22-12-15-6-7-15)8-9-19(13)16-4-3-5-18(11-16)21-24-23-14(2)26-21/h3-5,8-11,15H,6-7,12H2,1-2H3,(H,22,25).
What are the key properties of N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 25093475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).