8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane

C19H25N3O3 — CID 118742489

IUPAC8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESCc1noc(C)c1CN1CCC2(CC1)CC(Oc1cccnc1)CO2
InChIInChI=1S/C19H25N3O3/c1-14-18(15(2)25-21-14)12-22-8-5-19(6-9-22)10-17(13-23-19)24-16-4-3-7-20-11-16/h3-4,7,11,17H,5-6,8-10,12-13H2,1-2H3
InChIKeyCKPDRHQWNJNKTI-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.89
Rot. Bonds4

About 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane

8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118742489) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID118742489
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESCc1noc(C)c1CN1CCC2(CC1)CC(Oc1cccnc1)CO2
InChIInChI=1S/C19H25N3O3/c1-14-18(15(2)25-21-14)12-22-8-5-19(6-9-22)10-17(13-23-19)24-16-4-3-7-20-11-16/h3-4,7,11,17H,5-6,8-10,12-13H2,1-2H3
InChIKeyCKPDRHQWNJNKTI-UHFFFAOYSA-N
XLogP2.89
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane (CID 118742489) is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane is Cc1noc(C)c1CN1CCC2(CC1)CC(Oc1cccnc1)CO2.
What is the InChIKey of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is CKPDRHQWNJNKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-18(15(2)25-21-14)12-22-8-5-19(6-9-22)10-17(13-23-19)24-16-4-3-7-20-11-16/h3-4,7,11,17H,5-6,8-10,12-13H2,1-2H3.
What are the key properties of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane?
8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 343.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118742489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).