4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide

C19H21N4O2+ — CID 42643768

IUPAC4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide
SMILESCc1nnc(-c2cc[n+](NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1
InChIInChI=1S/C19H20N4O2/c1-13-20-21-18(25-13)15-9-11-23(12-10-15)22-17(24)14-5-7-16(8-6-14)19(2,3)4/h5-12H,1-4H3/p+1
InChIKeyVLIXAPHTGQFERX-UHFFFAOYSA-O
MW337.40 g/mol
LogP3.01
Rot. Bonds3

About 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide

4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide (PubChem CID 42643768) has the molecular formula C19H21N4O2+ and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide
PubChem CID42643768
Molecular FormulaC19H21N4O2+
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide
SMILESCc1nnc(-c2cc[n+](NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1
InChIInChI=1S/C19H20N4O2/c1-13-20-21-18(25-13)15-9-11-23(12-10-15)22-17(24)14-5-7-16(8-6-14)19(2,3)4/h5-12H,1-4H3/p+1
InChIKeyVLIXAPHTGQFERX-UHFFFAOYSA-O
XLogP3.01
TPSA71.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

7-Phenyl-1-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11631387
4-(5-Pentadecyl-1,3,4-oxadiazol-2-yl)pyridine
CID 17757647
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 731741
4-Methyl-N-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]benzamide
CID 5175267
3-(5-biphenyl-4-yl-1,3,4-oxadiazol-2-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 16189789
4-(5-Heptadecyl-1,3,4-oxadiazol-2-yl)pyridine
CID 17757646
N-[(E)-benzylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 155562605
N-[(E)-benzylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 73053905
2-Cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
Phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
CID 2338542
N-(1-methyl-2-pyridin-3-ylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16189878
3-(5-biphenyl-4-yl-1,3,4-oxadiazol-2-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylpropanamide
CID 16191373

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide (CID 42643768) is 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide is Cc1nnc(-c2cc[n+](NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1.
What is the InChIKey of 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide?
The InChIKey is VLIXAPHTGQFERX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N4O2/c1-13-20-21-18(25-13)15-9-11-23(12-10-15)22-17(24)14-5-7-16(8-6-14)19(2,3)4/h5-12H,1-4H3/p+1.
What are the key properties of 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide?
4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide has a molecular weight of 337.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]benzamide is sourced from PubChem (CID 42643768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).