2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole

C17H23N5O — CID 70788091

IUPAC2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCCC23CCN(c2ncccn2)CC3)co1
InChIInChI=1S/C17H23N5O/c1-14-20-15(13-23-14)12-22-9-2-4-17(22)5-10-21(11-6-17)16-18-7-3-8-19-16/h3,7-8,13H,2,4-6,9-12H2,1H3
InChIKeyQERLJPRNFQXTDB-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.41
Rot. Bonds3

About 2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole

2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole (PubChem CID 70788091) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole
PubChem CID70788091
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCCC23CCN(c2ncccn2)CC3)co1
InChIInChI=1S/C17H23N5O/c1-14-20-15(13-23-14)12-22-9-2-4-17(22)5-10-21(11-6-17)16-18-7-3-8-19-16/h3,7-8,13H,2,4-6,9-12H2,1H3
InChIKeyQERLJPRNFQXTDB-UHFFFAOYSA-N
XLogP2.41
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole 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 2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole (CID 70788091) is 2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole is Cc1nc(CN2CCCC23CCN(c2ncccn2)CC3)co1.
What is the InChIKey of 2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole?
The InChIKey is QERLJPRNFQXTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14-20-15(13-23-14)12-22-9-2-4-17(22)5-10-21(11-6-17)16-18-7-3-8-19-16/h3,7-8,13H,2,4-6,9-12H2,1H3.
What are the key properties of 2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole?
2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole has a molecular weight of 313.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 70788091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).