4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C18H21FN4O2 — CID 155302297

IUPAC4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)C1=CCN(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C18H21FN4O2/c1-18(2,3)13-8-10-23(11-9-13)17(24)20-16-22-21-15(25-16)12-4-6-14(19)7-5-12/h4-8H,9-11H2,1-3H3,(H,20,22,24)
InChIKeyBOMGNVXVOXQBQH-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.09
Rot. Bonds2

About 4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 155302297) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID155302297
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)C1=CCN(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C18H21FN4O2/c1-18(2,3)13-8-10-23(11-9-13)17(24)20-16-22-21-15(25-16)12-4-6-14(19)7-5-12/h4-8H,9-11H2,1-3H3,(H,20,22,24)
InChIKeyBOMGNVXVOXQBQH-UHFFFAOYSA-N
XLogP4.09
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 155302297) is 4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)(C)C1=CCN(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is BOMGNVXVOXQBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-18(2,3)13-8-10-23(11-9-13)17(24)20-16-22-21-15(25-16)12-4-6-14(19)7-5-12/h4-8H,9-11H2,1-3H3,(H,20,22,24).
What are the key properties of 4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 155302297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).