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

C19H26N4O2S — CID 3234212

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C19H26N4O2S/c1-14-17(15(2)25-21-14)18(24)23-10-5-19(6-11-23)3-8-22(9-4-19)13-16-20-7-12-26-16/h7,12H,3-6,8-11,13H2,1-2H3
InChIKeyHGQGUMCIENCSPZ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.27
Rot. Bonds3

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 3234212) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID3234212
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C19H26N4O2S/c1-14-17(15(2)25-21-14)18(24)23-10-5-19(6-11-23)3-8-22(9-4-19)13-16-20-7-12-26-16/h7,12H,3-6,8-11,13H2,1-2H3
InChIKeyHGQGUMCIENCSPZ-UHFFFAOYSA-N
XLogP3.27
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone 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 (3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 3234212) is (3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is Cc1noc(C)c1C(=O)N1CCC2(CCN(Cc3nccs3)CC2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is HGQGUMCIENCSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-17(15(2)25-21-14)18(24)23-10-5-19(6-11-23)3-8-22(9-4-19)13-16-20-7-12-26-16/h7,12H,3-6,8-11,13H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 374.51 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 3234212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).