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

C22H25N3O3 — CID 110321928

IUPAC4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(-c2nnc(CCNC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C22H25N3O3/c1-22(2,3)17-9-5-15(6-10-17)20(26)23-14-13-19-24-25-21(28-19)16-7-11-18(27-4)12-8-16/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyOHAHWHZHYCJGMP-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.02
Rot. Bonds6

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

4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide (PubChem CID 110321928) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
PubChem CID110321928
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(-c2nnc(CCNC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C22H25N3O3/c1-22(2,3)17-9-5-15(6-10-17)20(26)23-14-13-19-24-25-21(28-19)16-7-11-18(27-4)12-8-16/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyOHAHWHZHYCJGMP-UHFFFAOYSA-N
XLogP4.02
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321827
3,4-difluoro-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321955
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-3-carboxamide
CID 110321949
4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320666
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321819
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319544
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
CID 110321939
N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335010
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
CID 110321629
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 35779425
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110321850

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide (CID 110321928) is 4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide is COc1ccc(-c2nnc(CCNC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The InChIKey is OHAHWHZHYCJGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(2,3)17-9-5-15(6-10-17)20(26)23-14-13-19-24-25-21(28-19)16-7-11-18(27-4)12-8-16/h5-12H,13-14H2,1-4H3,(H,23,26).
What are the key properties of 4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 110321928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).