3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]

C15H18N2O — CID 91461039

IUPAC3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
SMILESC1=C(c2ccccc2)NOC12CN1CCC2CC1
InChIInChI=1S/C15H18N2O/c1-2-4-12(5-3-1)14-10-15(18-16-14)11-17-8-6-13(15)7-9-17/h1-5,10,13,16H,6-9,11H2
InChIKeyMXTFTNRPWQPFAQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.03
Rot. Bonds1

About 3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]

3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] (PubChem CID 91461039) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole].

Molecular Properties

Compound Name3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
PubChem CID91461039
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
SMILESC1=C(c2ccccc2)NOC12CN1CCC2CC1
InChIInChI=1S/C15H18N2O/c1-2-4-12(5-3-1)14-10-15(18-16-14)11-17-8-6-13(15)7-9-17/h1-5,10,13,16H,6-9,11H2
InChIKeyMXTFTNRPWQPFAQ-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene
CID 90757823
3'-(2,4,6-trimethylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
CID 90927053
3'-benzylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
CID 90928991
8-Benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91205266
3'-(4-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]
CID 91256046
6-Methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91614864
Spiro[1-azabicyclo[2.2.2]octane-3,2'-3,9-dihydro-[1,2]oxazolo[2,3-b]isoquinoline]
CID 25177692

Frequently Asked Questions

What is the IUPAC name of 3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
The IUPAC name of 3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] (CID 91461039) is 3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole].
What is the SMILES notation for 3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
The canonical SMILES for 3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] is C1=C(c2ccccc2)NOC12CN1CCC2CC1.
What is the InChIKey of 3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
The InChIKey is MXTFTNRPWQPFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-4-12(5-3-1)14-10-15(18-16-14)11-17-8-6-13(15)7-9-17/h1-5,10,13,16H,6-9,11H2.
What are the key properties of 3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]?
3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] has a molecular weight of 242.32 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-phenylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole] is sourced from PubChem (CID 91461039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).