3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole

C19H25N3O2 — CID 97451290

IUPAC3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC2(CC1)CC(Oc1cccnc1)C2
InChIInChI=1S/C19H25N3O2/c1-14-18(15(2)24-21-14)13-22-8-5-19(6-9-22)10-17(11-19)23-16-4-3-7-20-12-16/h3-4,7,12,17H,5-6,8-11,13H2,1-2H3
InChIKeyAUIXBYPJVQSFKV-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.51
Rot. Bonds4

About 3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole

3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole (PubChem CID 97451290) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole
PubChem CID97451290
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC2(CC1)CC(Oc1cccnc1)C2
InChIInChI=1S/C19H25N3O2/c1-14-18(15(2)24-21-14)13-22-8-5-19(6-9-22)10-17(11-19)23-16-4-3-7-20-12-16/h3-4,7,12,17H,5-6,8-11,13H2,1-2H3
InChIKeyAUIXBYPJVQSFKV-UHFFFAOYSA-N
XLogP3.51
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole (CID 97451290) is 3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCC2(CC1)CC(Oc1cccnc1)C2.
What is the InChIKey of 3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole?
The InChIKey is AUIXBYPJVQSFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-18(15(2)24-21-14)13-22-8-5-19(6-9-22)10-17(11-19)23-16-4-3-7-20-12-16/h3-4,7,12,17H,5-6,8-11,13H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole?
3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole has a molecular weight of 327.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 97451290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).