(4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C21H28N4O2 — CID 97154436

IUPAC(4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(CC)C3)no1
InChIInChI=1S/C21H28N4O2/c1-3-18-22-20(23-27-18)25-12-10-21(11-13-25)14-17(16-8-6-5-7-9-16)19(26)24(4-2)15-21/h5-9,17H,3-4,10-15H2,1-2H3/t17-/m1/s1
InChIKeyFIAHWSMUFNONMH-QGZVFWFLSA-N
MW368.48 g/mol
LogP3.25
Rot. Bonds4

About (4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

(4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97154436) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97154436
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(CC)C3)no1
InChIInChI=1S/C21H28N4O2/c1-3-18-22-20(23-27-18)25-12-10-21(11-13-25)14-17(16-8-6-5-7-9-16)19(26)24(4-2)15-21/h5-9,17H,3-4,10-15H2,1-2H3/t17-/m1/s1
InChIKeyFIAHWSMUFNONMH-QGZVFWFLSA-N
XLogP3.25
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97154436) is (4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is CCc1nc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(CC)C3)no1.
What is the InChIKey of (4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FIAHWSMUFNONMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-18-22-20(23-27-18)25-12-10-21(11-13-25)14-17(16-8-6-5-7-9-16)19(26)24(4-2)15-21/h5-9,17H,3-4,10-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
(4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 368.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97154436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).