4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C19H26N4O2 — CID 118739417

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCOC2(CCCN(c3ccccn3)C2)C1
InChIInChI=1S/C19H26N4O2/c1-15-17(16(2)25-21-15)12-22-10-11-24-19(13-22)7-5-9-23(14-19)18-6-3-4-8-20-18/h3-4,6,8H,5,7,9-14H2,1-2H3
InChIKeyHEAKQKYCUJKUFX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.56
Rot. Bonds3

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118739417) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118739417
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCOC2(CCCN(c3ccccn3)C2)C1
InChIInChI=1S/C19H26N4O2/c1-15-17(16(2)25-21-15)12-22-10-11-24-19(13-22)7-5-9-23(14-19)18-6-3-4-8-20-18/h3-4,6,8H,5,7,9-14H2,1-2H3
InChIKeyHEAKQKYCUJKUFX-UHFFFAOYSA-N
XLogP2.56
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118739417) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1noc(C)c1CN1CCOC2(CCCN(c3ccccn3)C2)C1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is HEAKQKYCUJKUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-17(16(2)25-21-15)12-22-10-11-24-19(13-22)7-5-9-23(14-19)18-6-3-4-8-20-18/h3-4,6,8H,5,7,9-14H2,1-2H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 342.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118739417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).