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

C20H21N3O2 — CID 2227137

IUPAC4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1
InChIInChI=1S/C20H21N3O2/c1-14(2)23(20(24)17-11-9-15(3)10-12-17)13-18-21-19(22-25-18)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKeyLQZKNNAHENPWES-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.10
Rot. Bonds5

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

4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 2227137) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID2227137
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1
InChIInChI=1S/C20H21N3O2/c1-14(2)23(20(24)17-11-9-15(3)10-12-17)13-18-21-19(22-25-18)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKeyLQZKNNAHENPWES-UHFFFAOYSA-N
XLogP4.10
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 1243431
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-4-propan-2-yloxybenzamide
CID 18524881
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2997415
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-phenylphenyl)-N-propan-2-ylacetamide
CID 17020197
4-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2997308
4-butoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 17383671
2-chloro-4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 17020222
4-butoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2977160
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 6494658
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide
CID 3899843
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 8836130
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 2231249

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide (CID 2227137) is 4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is LQZKNNAHENPWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(2)23(20(24)17-11-9-15(3)10-12-17)13-18-21-19(22-25-18)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3.
What are the key properties of 4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide?
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 2227137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).