5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

C20H27N5O2 — CID 72924688

IUPAC5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN1CC(c2ccccc2)CC2(CCN(Cc3nc(C(N)=O)no3)CC2)C1
InChIInChI=1S/C20H27N5O2/c1-24-12-16(15-5-3-2-4-6-15)11-20(14-24)7-9-25(10-8-20)13-17-22-19(18(21)26)23-27-17/h2-6,16H,7-14H2,1H3,(H2,21,26)
InChIKeyNZFQGFDUDWXVPX-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.87
Rot. Bonds4

About 5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 72924688) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID72924688
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN1CC(c2ccccc2)CC2(CCN(Cc3nc(C(N)=O)no3)CC2)C1
InChIInChI=1S/C20H27N5O2/c1-24-12-16(15-5-3-2-4-6-15)11-20(14-24)7-9-25(10-8-20)13-17-22-19(18(21)26)23-27-17/h2-6,16H,7-14H2,1H3,(H2,21,26)
InChIKeyNZFQGFDUDWXVPX-UHFFFAOYSA-N
XLogP1.87
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97148905
3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole
CID 72889845
4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 97153293
4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
CID 72933715
5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97199375
2-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 72837273
5-[[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 97270180
3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine
CID 97147788
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011
3-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 72941270
4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97113099
1-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylsulfanylethanone
CID 72868702

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 72924688) is 5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is CN1CC(c2ccccc2)CC2(CCN(Cc3nc(C(N)=O)no3)CC2)C1.
What is the InChIKey of 5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NZFQGFDUDWXVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24-12-16(15-5-3-2-4-6-15)11-20(14-24)7-9-25(10-8-20)13-17-22-19(18(21)26)23-27-17/h2-6,16H,7-14H2,1H3,(H2,21,26).
What are the key properties of 5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 72924688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).