2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]

C21H25N3O — CID 14815239

IUPAC2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESc1ccc2c(c1)c(C1=NCC3(CN4CCC3CC4)O1)cn2CC1CC1
InChIInChI=1S/C21H25N3O/c1-2-4-19-17(3-1)18(12-24(19)11-15-5-6-15)20-22-13-21(25-20)14-23-9-7-16(21)8-10-23/h1-4,12,15-16H,5-11,13-14H2
InChIKeyBESMUVURBIHFQF-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.29
Rot. Bonds3

About 2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]

2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (PubChem CID 14815239) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
PubChem CID14815239
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESc1ccc2c(c1)c(C1=NCC3(CN4CCC3CC4)O1)cn2CC1CC1
InChIInChI=1S/C21H25N3O/c1-2-4-19-17(3-1)18(12-24(19)11-15-5-6-15)20-22-13-21(25-20)14-23-9-7-16(21)8-10-23/h1-4,12,15-16H,5-11,13-14H2
InChIKeyBESMUVURBIHFQF-UHFFFAOYSA-N
XLogP3.29
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The IUPAC name of 2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (CID 14815239) is 2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].
What is the SMILES notation for 2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The canonical SMILES for 2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is c1ccc2c(c1)c(C1=NCC3(CN4CCC3CC4)O1)cn2CC1CC1.
What is the InChIKey of 2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The InChIKey is BESMUVURBIHFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-4-19-17(3-1)18(12-24(19)11-15-5-6-15)20-22-13-21(25-20)14-23-9-7-16(21)8-10-23/h1-4,12,15-16H,5-11,13-14H2.
What are the key properties of 2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] has a molecular weight of 335.45 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is sourced from PubChem (CID 14815239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).