3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole

C16H21N5O — CID 172902564

IUPAC3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cccc(CN2CC3CC(C2)N3Cc2nc(C)no2)n1
InChIInChI=1S/C16H21N5O/c1-11-4-3-5-13(17-11)7-20-8-14-6-15(9-20)21(14)10-16-18-12(2)19-22-16/h3-5,14-15H,6-10H2,1-2H3
InChIKeyNTSGMSOWCVQKMY-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.54
Rot. Bonds4

About 3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole

3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole (PubChem CID 172902564) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole
PubChem CID172902564
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cccc(CN2CC3CC(C2)N3Cc2nc(C)no2)n1
InChIInChI=1S/C16H21N5O/c1-11-4-3-5-13(17-11)7-20-8-14-6-15(9-20)21(14)10-16-18-12(2)19-22-16/h3-5,14-15H,6-10H2,1-2H3
InChIKeyNTSGMSOWCVQKMY-UHFFFAOYSA-N
XLogP1.54
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[(6-methyl-2-pyridinyl)methyl]-6-[[4-(trifluoromethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 175650281
5-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 126856950
N-(4-ethoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
CID 172906404
6-[(2-fluorophenyl)methylsulfonyl]-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 175650574
5-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 172900745
5-[[3-[(5-bromo-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 172901736
2-methyl-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 74234895
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 130847204
[(3R,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759213
N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62740936
6-(6-cyclobutyl-5-fluoropyrimidin-4-yl)-3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 172902963
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole (CID 172902564) is 3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole is Cc1cccc(CN2CC3CC(C2)N3Cc2nc(C)no2)n1.
What is the InChIKey of 3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is NTSGMSOWCVQKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-4-3-5-13(17-11)7-20-8-14-6-15(9-20)21(14)10-16-18-12(2)19-22-16/h3-5,14-15H,6-10H2,1-2H3.
What are the key properties of 3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole?
3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 299.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 172902564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).