9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C19H26N4O2 — CID 97450932

IUPAC9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCC2(CC1)CN(c1ccccn1)CCO2
InChIInChI=1S/C19H26N4O2/c1-15-17(16(2)25-21-15)13-22-9-6-19(7-10-22)14-23(11-12-24-19)18-5-3-4-8-20-18/h3-5,8H,6-7,9-14H2,1-2H3
InChIKeyJOABSOGVIHIMQD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.56
Rot. Bonds3

About 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97450932) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97450932
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCC2(CC1)CN(c1ccccn1)CCO2
InChIInChI=1S/C19H26N4O2/c1-15-17(16(2)25-21-15)13-22-9-6-19(7-10-22)14-23(11-12-24-19)18-5-3-4-8-20-18/h3-5,8H,6-7,9-14H2,1-2H3
InChIKeyJOABSOGVIHIMQD-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

Analyze 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97450932) is 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1noc(C)c1CN1CCC2(CC1)CN(c1ccccn1)CCO2.
What is the InChIKey of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is JOABSOGVIHIMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-17(16(2)25-21-15)13-22-9-6-19(7-10-22)14-23(11-12-24-19)18-5-3-4-8-20-18/h3-5,8H,6-7,9-14H2,1-2H3.
What are the key properties of 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-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 9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).