[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C23H23N3O3 — CID 90452177

IUPAC[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2cccc(C)c2-c2ncco2)C3)nc1
InChIInChI=1S/C23H23N3O3/c1-14-6-7-20(25-12-14)29-19-11-16-10-18(19)26(13-16)23(27)17-5-3-4-15(2)21(17)22-24-8-9-28-22/h3-9,12,16,18-19H,10-11,13H2,1-2H3
InChIKeyJNRNJLLAPRHTBB-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.04
Rot. Bonds4

About [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 90452177) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID90452177
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2cccc(C)c2-c2ncco2)C3)nc1
InChIInChI=1S/C23H23N3O3/c1-14-6-7-20(25-12-14)29-19-11-16-10-18(19)26(13-16)23(27)17-5-3-4-15(2)21(17)22-24-8-9-28-22/h3-9,12,16,18-19H,10-11,13H2,1-2H3
InChIKeyJNRNJLLAPRHTBB-UHFFFAOYSA-N
XLogP4.04
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 90452177) is [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2cccc(C)c2-c2ncco2)C3)nc1.
What is the InChIKey of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is JNRNJLLAPRHTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-6-7-20(25-12-14)29-19-11-16-10-18(19)26(13-16)23(27)17-5-3-4-15(2)21(17)22-24-8-9-28-22/h3-9,12,16,18-19H,10-11,13H2,1-2H3.
What are the key properties of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 389.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 90452177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).