2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide

C21H21N3O3 — CID 75417439

IUPAC2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H21N3O3/c1-13-5-6-15(20-24-22-12-27-20)11-17(13)23-19(26)18(25)14-7-9-16(10-8-14)21(2,3)4/h5-12H,1-4H3,(H,23,26)
InChIKeyCCWCBVYXQWAMMA-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.16
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide

2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide (PubChem CID 75417439) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide
PubChem CID75417439
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H21N3O3/c1-13-5-6-15(20-24-22-12-27-20)11-17(13)23-19(26)18(25)14-7-9-16(10-8-14)21(2,3)4/h5-12H,1-4H3,(H,23,26)
InChIKeyCCWCBVYXQWAMMA-UHFFFAOYSA-N
XLogP4.16
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608
2-amino-2-cyclopropyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867901
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 43706124
4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599
2-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685977
4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60954664
4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55731590
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618296

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide (CID 75417439) is 2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide is Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide?
The InChIKey is CCWCBVYXQWAMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-5-6-15(20-24-22-12-27-20)11-17(13)23-19(26)18(25)14-7-9-16(10-8-14)21(2,3)4/h5-12H,1-4H3,(H,23,26).
What are the key properties of 2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide?
2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide has a molecular weight of 363.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 75417439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).