4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide

C24H26N4O2 — CID 42643759

IUPAC4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN2CC=C(c3nnc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-24(2,3)20-11-9-17(10-12-20)21(29)27-28-15-13-19(14-16-28)23-26-25-22(30-23)18-7-5-4-6-8-18/h4-13H,14-16H2,1-3H3,(H,27,29)
InChIKeyICNQQBSUZHNCOL-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.47
Rot. Bonds4

About 4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide

4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide (PubChem CID 42643759) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide
PubChem CID42643759
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN2CC=C(c3nnc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-24(2,3)20-11-9-17(10-12-20)21(29)27-28-15-13-19(14-16-28)23-26-25-22(30-23)18-7-5-4-6-8-18/h4-13H,14-16H2,1-3H3,(H,27,29)
InChIKeyICNQQBSUZHNCOL-UHFFFAOYSA-N
XLogP4.47
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide
CID 42644018
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CID 10636979
4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 38168396
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 17171702
2-(4-tert-butylphenyl)-5-[3-[5-(4-prop-1-en-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 88993116
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4-(N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino)benzoic acid
CID 101098774
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7604905
[4-[[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]carbamoyl]phenyl] acetate
CID 58104897
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide (CID 42643759) is 4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide is CC(C)(C)c1ccc(C(=O)NN2CC=C(c3nnc(-c4ccccc4)o3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
The InChIKey is ICNQQBSUZHNCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-24(2,3)20-11-9-17(10-12-20)21(29)27-28-15-13-19(14-16-28)23-26-25-22(30-23)18-7-5-4-6-8-18/h4-13H,14-16H2,1-3H3,(H,27,29).
What are the key properties of 4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]benzamide is sourced from PubChem (CID 42643759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).