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

C22H22N4O2 — CID 119070010

IUPAC3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(c3noc(-c4ccccc4)n3)CC2)CC1c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-19-18(16-7-3-1-4-8-16)15-22(24-19)11-13-26(14-12-22)21-23-20(28-25-21)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,24,27)
InChIKeyTWXJQKMSARTMIB-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.38
Rot. Bonds3

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

3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 119070010) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID119070010
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(c3noc(-c4ccccc4)n3)CC2)CC1c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-19-18(16-7-3-1-4-8-16)15-22(24-19)11-13-26(14-12-22)21-23-20(28-25-21)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,24,27)
InChIKeyTWXJQKMSARTMIB-UHFFFAOYSA-N
XLogP3.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 119070010) is 3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN(c3noc(-c4ccccc4)n3)CC2)CC1c1ccccc1.
What is the InChIKey of 3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is TWXJQKMSARTMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-19-18(16-7-3-1-4-8-16)15-22(24-19)11-13-26(14-12-22)21-23-20(28-25-21)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,24,27).
What are the key properties of 3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one?
3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 119070010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).