8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C21H31N5O2 — CID 72934289

IUPAC8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccc(-c2nnc(CN3CCC4(CC3)CC(=O)N(CC(C)C)C4)o2)n1C
InChIInChI=1S/C21H31N5O2/c1-15(2)12-26-14-21(11-19(26)27)7-9-25(10-8-21)13-18-22-23-20(28-18)17-6-5-16(3)24(17)4/h5-6,15H,7-14H2,1-4H3
InChIKeyMFVVJRJSFDPGCS-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.85
Rot. Bonds5

About 8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72934289) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72934289
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccc(-c2nnc(CN3CCC4(CC3)CC(=O)N(CC(C)C)C4)o2)n1C
InChIInChI=1S/C21H31N5O2/c1-15(2)12-26-14-21(11-19(26)27)7-9-25(10-8-21)13-18-22-23-20(28-18)17-6-5-16(3)24(17)4/h5-6,15H,7-14H2,1-4H3
InChIKeyMFVVJRJSFDPGCS-UHFFFAOYSA-N
XLogP2.85
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one 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 8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72934289) is 8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1ccc(-c2nnc(CN3CCC4(CC3)CC(=O)N(CC(C)C)C4)o2)n1C.
What is the InChIKey of 8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is MFVVJRJSFDPGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-15(2)12-26-14-21(11-19(26)27)7-9-25(10-8-21)13-18-22-23-20(28-18)17-6-5-16(3)24(17)4/h5-6,15H,7-14H2,1-4H3.
What are the key properties of 8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 385.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72934289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).