(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C18H21N3O3 — CID 121186495

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCc1noc(C)c1C(=O)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C18H21N3O3/c1-11-17(12(2)24-20-11)18(22)21-13-3-4-14(21)10-16(9-13)23-15-5-7-19-8-6-15/h5-8,13-14,16H,3-4,9-10H2,1-2H3
InChIKeyQQBLAUNOOAYQKF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.90
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121186495) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID121186495
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCc1noc(C)c1C(=O)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C18H21N3O3/c1-11-17(12(2)24-20-11)18(22)21-13-3-4-14(21)10-16(9-13)23-15-5-7-19-8-6-15/h5-8,13-14,16H,3-4,9-10H2,1-2H3
InChIKeyQQBLAUNOOAYQKF-UHFFFAOYSA-N
XLogP2.90
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186547
methyl 4-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzoate
CID 121186374
(2-chlorophenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186471
(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 121186393
1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186348
[3,5-bis(trifluoromethyl)phenyl]-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186625
(4-bromothiophen-2-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186612
isoquinolin-1-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186611
N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186667
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 119103729
N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186665
1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone
CID 121186331

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121186495) is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is Cc1noc(C)c1C(=O)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is QQBLAUNOOAYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-17(12(2)24-20-11)18(22)21-13-3-4-14(21)10-16(9-13)23-15-5-7-19-8-6-15/h5-8,13-14,16H,3-4,9-10H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 327.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121186495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).