(5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

C16H17N3O3 — CID 11150702

IUPAC(5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1O[C@]2(CN3CCC2CC3)CN1c1nc2ccccc2o1
InChIInChI=1S/C16H17N3O3/c20-15-19(14-17-12-3-1-2-4-13(12)21-14)10-16(22-15)9-18-7-5-11(16)6-8-18/h1-4,11H,5-10H2/t16-/m1/s1
InChIKeySMSCIUZCARTXOI-MRXNPFEDSA-N
MW299.33 g/mol
LogP2.25
Rot. Bonds1

About (5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

(5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (PubChem CID 11150702) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

Molecular Properties

Compound Name(5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
PubChem CID11150702
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1O[C@]2(CN3CCC2CC3)CN1c1nc2ccccc2o1
InChIInChI=1S/C16H17N3O3/c20-15-19(14-17-12-3-1-2-4-13(12)21-14)10-16(22-15)9-18-7-5-11(16)6-8-18/h1-4,11H,5-10H2/t16-/m1/s1
InChIKeySMSCIUZCARTXOI-MRXNPFEDSA-N
XLogP2.25
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The IUPAC name of (5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (CID 11150702) is (5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.
What is the SMILES notation for (5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The canonical SMILES for (5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is O=C1O[C@]2(CN3CCC2CC3)CN1c1nc2ccccc2o1.
What is the InChIKey of (5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The InChIKey is SMSCIUZCARTXOI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15-19(14-17-12-3-1-2-4-13(12)21-14)10-16(22-15)9-18-7-5-11(16)6-8-18/h1-4,11H,5-10H2/t16-/m1/s1.
What are the key properties of (5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
(5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one has a molecular weight of 299.33 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(1,3-benzoxazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 11150702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).