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

C22H25N3O2 — CID 42808968

IUPAC4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)N(CCc2nc(-c3ccccc3)no2)CC(C)C)cc1
InChIInChI=1S/C22H25N3O2/c1-16(2)15-25(22(26)19-11-9-17(3)10-12-19)14-13-20-23-21(24-27-20)18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3
InChIKeyZWSAVWATTYXMBO-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.39
Rot. Bonds7

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

4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 42808968) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID42808968
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)N(CCc2nc(-c3ccccc3)no2)CC(C)C)cc1
InChIInChI=1S/C22H25N3O2/c1-16(2)15-25(22(26)19-11-9-17(3)10-12-19)14-13-20-23-21(24-27-20)18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3
InChIKeyZWSAVWATTYXMBO-UHFFFAOYSA-N
XLogP4.39
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 83288780
4-methyl-N-(2-methylpropyl)-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83288824
N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288859
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 83280239
4-methyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propylbenzamide
CID 91635629
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 83277431
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide
CID 83288856
4-methyl-N-(2-methylpropyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070311
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 83280256
N-(2-methylpropyl)-4-(trifluoromethyl)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83280223
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide
CID 83277422

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 42808968) is 4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is Cc1ccc(C(=O)N(CCc2nc(-c3ccccc3)no2)CC(C)C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is ZWSAVWATTYXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(2)15-25(22(26)19-11-9-17(3)10-12-19)14-13-20-23-21(24-27-20)18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 42808968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).