2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

C17H18N6O — CID 167937516

IUPAC2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCc1ccnc(CN2CC(C)(c3nnc(-c4ccccn4)o3)C2)n1
InChIInChI=1S/C17H18N6O/c1-12-6-8-19-14(20-12)9-23-10-17(2,11-23)16-22-21-15(24-16)13-5-3-4-7-18-13/h3-8H,9-11H2,1-2H3
InChIKeyJHMNIPNNJAVOJB-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.00
Rot. Bonds4

About 2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 167937516) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID167937516
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCc1ccnc(CN2CC(C)(c3nnc(-c4ccccn4)o3)C2)n1
InChIInChI=1S/C17H18N6O/c1-12-6-8-19-14(20-12)9-23-10-17(2,11-23)16-22-21-15(24-16)13-5-3-4-7-18-13/h3-8H,9-11H2,1-2H3
InChIKeyJHMNIPNNJAVOJB-UHFFFAOYSA-N
XLogP2.00
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 167937516) is 2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is Cc1ccnc(CN2CC(C)(c3nnc(-c4ccccn4)o3)C2)n1.
What is the InChIKey of 2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is JHMNIPNNJAVOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-6-8-19-14(20-12)9-23-10-17(2,11-23)16-22-21-15(24-16)13-5-3-4-7-18-13/h3-8H,9-11H2,1-2H3.
What are the key properties of 2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 322.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 167937516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).