[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C23H24N4O3 — CID 90412273

IUPAC[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)nc1
InChIInChI=1S/C23H24N4O3/c1-14-7-10-21(24-12-14)29-13-16-11-17-8-9-20(16)27(17)23(28)19-6-4-3-5-18(19)22-25-15(2)26-30-22/h3-7,10,12,16-17,20H,8-9,11,13H2,1-2H3
InChIKeyGHFKLGMHIXCGAE-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.82
Rot. Bonds5

About [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 90412273) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID90412273
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)nc1
InChIInChI=1S/C23H24N4O3/c1-14-7-10-21(24-12-14)29-13-16-11-17-8-9-20(16)27(17)23(28)19-6-4-3-5-18(19)22-25-15(2)26-30-22/h3-7,10,12,16-17,20H,8-9,11,13H2,1-2H3
InChIKeyGHFKLGMHIXCGAE-UHFFFAOYSA-N
XLogP3.82
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 90412273) is [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)nc1.
What is the InChIKey of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is GHFKLGMHIXCGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-7-10-21(24-12-14)29-13-16-11-17-8-9-20(16)27(17)23(28)19-6-4-3-5-18(19)22-25-15(2)26-30-22/h3-7,10,12,16-17,20H,8-9,11,13H2,1-2H3.
What are the key properties of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 404.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 90412273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).