[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C24H25N3O3 — CID 126745497

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2ccccc2-c2c(C)noc2C)C3)nc1
InChIInChI=1S/C24H25N3O3/c1-14-8-9-22(25-12-14)29-21-11-17-10-20(21)27(13-17)24(28)19-7-5-4-6-18(19)23-15(2)26-30-16(23)3/h4-9,12,17,20-21H,10-11,13H2,1-3H3
InChIKeyUMMMKWQWIYTHSJ-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.34
Rot. Bonds4

About [2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 126745497) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID126745497
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2ccccc2-c2c(C)noc2C)C3)nc1
InChIInChI=1S/C24H25N3O3/c1-14-8-9-22(25-12-14)29-21-11-17-10-20(21)27(13-17)24(28)19-7-5-4-6-18(19)23-15(2)26-30-16(23)3/h4-9,12,17,20-21H,10-11,13H2,1-3H3
InChIKeyUMMMKWQWIYTHSJ-UHFFFAOYSA-N
XLogP4.34
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 126745497) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2ccccc2-c2c(C)noc2C)C3)nc1.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is UMMMKWQWIYTHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-14-8-9-22(25-12-14)29-21-11-17-10-20(21)27(13-17)24(28)19-7-5-4-6-18(19)23-15(2)26-30-16(23)3/h4-9,12,17,20-21H,10-11,13H2,1-3H3.
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 403.48 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 126745497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).