5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C19H23N5O3 — CID 97199375

About 5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 97199375) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 97199375
• Molecular Formula: C19H23N5O3
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.18
• IUPAC Name: 5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1nc(C(N)=O)no1)CC2
• InChI: InChI=1S/C19H23N5O3/c1-23-18(26)14(13-5-3-2-4-6-13)11-19(23)7-9-24(10-8-19)12-15-21-17(16(20)25)22-27-15/h2-6,14H,7-12H2,1H3,(H2,20,25)/t14-/m1/s1
• InChIKey: BAHTTWVOSLNEBL-CQSZACIVSA-N
• XLogP: 1.15
• TPSA: 105.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 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) is 5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1nc(C(N)=O)no1)CC2.

What is the InChIKey of 5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is BAHTTWVOSLNEBL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-23-18(26)14(13-5-3-2-4-6-13)11-19(23)7-9-24(10-8-19)12-15-21-17(16(20)25)22-27-15/h2-6,14H,7-12H2,1H3,(H2,20,25)/t14-/m1/s1.

What are the key properties of 5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?

5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 97199375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).