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

C24H29N3O2 — CID 1266408

IUPAC4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(-c2noc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C(C)C)n2)cc1
InChIInChI=1S/C24H29N3O2/c1-16(2)27(23(28)19-11-13-20(14-12-19)24(4,5)6)15-21-25-22(26-29-21)18-9-7-17(3)8-10-18/h7-14,16H,15H2,1-6H3
InChIKeyHOYZFRGJYLESOC-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.39
Rot. Bonds5

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

4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide (PubChem CID 1266408) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
PubChem CID1266408
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(-c2noc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C(C)C)n2)cc1
InChIInChI=1S/C24H29N3O2/c1-16(2)27(23(28)19-11-13-20(14-12-19)24(4,5)6)15-21-25-22(26-29-21)18-9-7-17(3)8-10-18/h7-14,16H,15H2,1-6H3
InChIKeyHOYZFRGJYLESOC-UHFFFAOYSA-N
XLogP5.39
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(dipropylamino)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230790
(R)-N-(1-(benzyl(methyl)amino)propan-2-yl)-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CID 71230992
N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230799
(R)-N-(1-(5-Azaspiro[2.5]octan-5-yl)propan-2-yl)-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CID 122669618
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-isopropyl-2,2-diphenylacetamide
CID 2215563
N-Cyclopropyl-6-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-3-carboxamide
CID 44580359
N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230957
N-[1-[benzyl(methyl)amino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230993
N-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881504
N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881567
N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881623
N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881638

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide (CID 1266408) is 4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide is Cc1ccc(-c2noc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C(C)C)n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is HOYZFRGJYLESOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16(2)27(23(28)19-11-13-20(14-12-19)24(4,5)6)15-21-25-22(26-29-21)18-9-7-17(3)8-10-18/h7-14,16H,15H2,1-6H3.
What are the key properties of 4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 391.52 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1266408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).