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

C21H21N3O2 — CID 134001912

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESCc1noc(-c2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)n1
InChIInChI=1S/C21H21N3O2/c1-15-23-20(26-24-15)17-10-8-16(9-11-17)19(25)22-14-21(12-5-13-21)18-6-3-2-4-7-18/h2-4,6-11H,5,12-14H2,1H3,(H,22,25)
InChIKeyGMMWSKQXQILIPN-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.90
Rot. Bonds5

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

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide (PubChem CID 134001912) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide
PubChem CID134001912
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESCc1noc(-c2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)n1
InChIInChI=1S/C21H21N3O2/c1-15-23-20(26-24-15)17-10-8-16(9-11-17)19(25)22-14-21(12-5-13-21)18-6-3-2-4-7-18/h2-4,6-11H,5,12-14H2,1H3,(H,22,25)
InChIKeyGMMWSKQXQILIPN-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine
CID 111854882
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 86931751
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[2-(N-methylanilino)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24665771
4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16581101
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996
4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55492878
4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
CID 56546048
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 1120192
5-(4-acetylphenyl)-N-[(1-phenylcyclobutyl)methyl]furan-2-carboxamide
CID 16601981

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide (CID 134001912) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide is Cc1noc(-c2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide?
The InChIKey is GMMWSKQXQILIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-23-20(26-24-15)17-10-8-16(9-11-17)19(25)22-14-21(12-5-13-21)18-6-3-2-4-7-18/h2-4,6-11H,5,12-14H2,1H3,(H,22,25).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 134001912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).