5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide

C20H23N5O2 — CID 5225704

IUPAC5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide
SMILESCc1nc(C)c(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1C(=O)NN
InChIInChI=1S/C20H23N5O2/c1-11-15(17(26)23-21)10-16(12(2)22-11)19-25-24-18(27-19)13-6-8-14(9-7-13)20(3,4)5/h6-10H,21H2,1-5H3,(H,23,26)
InChIKeyFDAOSSGFYITYTD-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.32
Rot. Bonds3

About 5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide

5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide (PubChem CID 5225704) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide
PubChem CID5225704
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide
SMILESCc1nc(C)c(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1C(=O)NN
InChIInChI=1S/C20H23N5O2/c1-11-15(17(26)23-21)10-16(12(2)22-11)19-25-24-18(27-19)13-6-8-14(9-7-13)20(3,4)5/h6-10H,21H2,1-5H3,(H,23,26)
InChIKeyFDAOSSGFYITYTD-UHFFFAOYSA-N
XLogP3.32
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide?
The IUPAC name of 5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide (CID 5225704) is 5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide.
What is the SMILES notation for 5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide?
The canonical SMILES for 5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide is Cc1nc(C)c(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1C(=O)NN.
What is the InChIKey of 5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide?
The InChIKey is FDAOSSGFYITYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-11-15(17(26)23-21)10-16(12(2)22-11)19-25-24-18(27-19)13-6-8-14(9-7-13)20(3,4)5/h6-10H,21H2,1-5H3,(H,23,26).
What are the key properties of 5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide?
5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide has a molecular weight of 365.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyridine-3-carbohydrazide is sourced from PubChem (CID 5225704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).