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

C22H32N4O — CID 97109660

IUPAC2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN(C)C3)o1
InChIInChI=1S/C22H32N4O/c1-17(2)21-24-23-20(27-21)15-26-11-9-22(10-12-26)13-19(14-25(3)16-22)18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3/t19-/m0/s1
InChIKeyWGQBMMZDKBNKAR-IBGZPJMESA-N
MW368.53 g/mol
LogP3.89
Rot. Bonds4

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

2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 97109660) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID97109660
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN(C)C3)o1
InChIInChI=1S/C22H32N4O/c1-17(2)21-24-23-20(27-21)15-26-11-9-22(10-12-26)13-19(14-25(3)16-22)18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3/t19-/m0/s1
InChIKeyWGQBMMZDKBNKAR-IBGZPJMESA-N
XLogP3.89
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 97109660) is 2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN(C)C3)o1.
What is the InChIKey of 2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is WGQBMMZDKBNKAR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H32N4O/c1-17(2)21-24-23-20(27-21)15-26-11-9-22(10-12-26)13-19(14-25(3)16-22)18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3/t19-/m0/s1.
What are the key properties of 2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 368.53 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 97109660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).