4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole

C22H31N3O — CID 97438440

IUPAC4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3coc(C)n3)CC2)C1
InChIInChI=1S/C22H31N3O/c1-3-24-14-20(19-7-5-4-6-8-19)13-22(17-24)9-11-25(12-10-22)15-21-16-26-18(2)23-21/h4-8,16,20H,3,9-15,17H2,1-2H3/t20-/m0/s1
InChIKeyRGEXKVRDDOAGRK-FQEVSTJZSA-N
MW353.51 g/mol
LogP4.07
Rot. Bonds4

About 4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole

4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 97438440) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID97438440
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3coc(C)n3)CC2)C1
InChIInChI=1S/C22H31N3O/c1-3-24-14-20(19-7-5-4-6-8-19)13-22(17-24)9-11-25(12-10-22)15-21-16-26-18(2)23-21/h4-8,16,20H,3,9-15,17H2,1-2H3/t20-/m0/s1
InChIKeyRGEXKVRDDOAGRK-FQEVSTJZSA-N
XLogP4.07
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole (CID 97438440) is 4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole is CCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3coc(C)n3)CC2)C1.
What is the InChIKey of 4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is RGEXKVRDDOAGRK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H31N3O/c1-3-24-14-20(19-7-5-4-6-8-19)13-22(17-24)9-11-25(12-10-22)15-21-16-26-18(2)23-21/h4-8,16,20H,3,9-15,17H2,1-2H3/t20-/m0/s1.
What are the key properties of 4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole?
4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 353.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 97438440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).