5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole

C18H18N4O — CID 154742824

IUPAC5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
SMILESCc1ccncc1Cc1nc(C2(c3ccncc3)CCC2)no1
InChIInChI=1S/C18H18N4O/c1-13-3-8-20-12-14(13)11-16-21-17(22-23-16)18(6-2-7-18)15-4-9-19-10-5-15/h3-5,8-10,12H,2,6-7,11H2,1H3
InChIKeyCUGNZZLTYXBOPS-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.23
Rot. Bonds4

About 5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole

5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 154742824) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
PubChem CID154742824
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
SMILESCc1ccncc1Cc1nc(C2(c3ccncc3)CCC2)no1
InChIInChI=1S/C18H18N4O/c1-13-3-8-20-12-14(13)11-16-21-17(22-23-16)18(6-2-7-18)15-4-9-19-10-5-15/h3-5,8-10,12H,2,6-7,11H2,1H3
InChIKeyCUGNZZLTYXBOPS-UHFFFAOYSA-N
XLogP3.23
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154744719
3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 154742790
5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154746852
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154747137
1-[5-[(2-methoxy-5-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860451
4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349538
methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79481889
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63079908
4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 114878987
5-[2-(2,2-difluoroethyl)pyrazol-3-yl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 138005536
N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 114877017

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole (CID 154742824) is 5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole is Cc1ccncc1Cc1nc(C2(c3ccncc3)CCC2)no1.
What is the InChIKey of 5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is CUGNZZLTYXBOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-3-8-20-12-14(13)11-16-21-17(22-23-16)18(6-2-7-18)15-4-9-19-10-5-15/h3-5,8-10,12H,2,6-7,11H2,1H3.
What are the key properties of 5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154742824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).