(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C19H31N3O2 — CID 3234303

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCCN(CC(C)C)C2)CC1
InChIInChI=1S/C19H31N3O2/c1-14(2)12-21-9-5-6-19(13-21)7-10-22(11-8-19)18(23)17-15(3)20-24-16(17)4/h14H,5-13H2,1-4H3
InChIKeyAIYGXVAILPSINZ-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.27
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 3234303) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID3234303
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCCN(CC(C)C)C2)CC1
InChIInChI=1S/C19H31N3O2/c1-14(2)12-21-9-5-6-19(13-21)7-10-22(11-8-19)18(23)17-15(3)20-24-16(17)4/h14H,5-13H2,1-4H3
InChIKeyAIYGXVAILPSINZ-UHFFFAOYSA-N
XLogP3.27
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 3234303) is (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is Cc1noc(C)c1C(=O)N1CCC2(CCCN(CC(C)C)C2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is AIYGXVAILPSINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)12-21-9-5-6-19(13-21)7-10-22(11-8-19)18(23)17-15(3)20-24-16(17)4/h14H,5-13H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 333.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 3234303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).