4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide

C22H25N3O2 — CID 166804559

IUPAC4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCCCc1ccc(-c2noc(-c3ccc(C(N)=O)cc3)n2)cc1C(C)(C)C
InChIInChI=1S/C22H25N3O2/c1-5-6-14-7-12-17(13-18(14)22(2,3)4)20-24-21(27-25-20)16-10-8-15(9-11-16)19(23)26/h7-13H,5-6H2,1-4H3,(H2,23,26)
InChIKeyUANOQCMMKFCFFP-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.75
Rot. Bonds5

About 4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide

4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 166804559) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID166804559
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCCCc1ccc(-c2noc(-c3ccc(C(N)=O)cc3)n2)cc1C(C)(C)C
InChIInChI=1S/C22H25N3O2/c1-5-6-14-7-12-17(13-18(14)22(2,3)4)20-24-21(27-25-20)16-10-8-15(9-11-16)19(23)26/h7-13H,5-6H2,1-4H3,(H2,23,26)
InChIKeyUANOQCMMKFCFFP-UHFFFAOYSA-N
XLogP4.75
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-tert-butyl-4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 145103072
1-[4-[3-[3-tert-butyl-4-(ethoxymethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 166804578
3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
CID 23379869
2-[4-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010359
ethyl (2R)-2-[4-[3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenoxy]propanoate
CID 58404479
ethyl 2-[4-[3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenoxy]propanoate
CID 76777846
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 25219299
3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole
CID 58078831
3-[3-tert-butyl-4-(2-phenylethyl)phenyl]-5-(1-cyclopentyl-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 168858277
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 120892792
4-[3-[4-(3-oxopropoxy)-3-pyrrolidin-1-ylphenyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 145103074

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of 4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 166804559) is 4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for 4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for 4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide is CCCc1ccc(-c2noc(-c3ccc(C(N)=O)cc3)n2)cc1C(C)(C)C.
What is the InChIKey of 4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is UANOQCMMKFCFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-6-14-7-12-17(13-18(14)22(2,3)4)20-24-21(27-25-20)16-10-8-15(9-11-16)19(23)26/h7-13H,5-6H2,1-4H3,(H2,23,26).
What are the key properties of 4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-tert-butyl-4-propylphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 166804559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).