2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C27H27N5O2 — CID 67251377

IUPAC2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2ncoc2-c2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C27H27N5O2/c33-26-27(12-15-31(16-13-27)24-17-28-21-9-4-5-10-22(21)30-24)11-6-14-32(26)18-23-25(34-19-29-23)20-7-2-1-3-8-20/h1-5,7-10,17,19H,6,11-16,18H2
InChIKeyQVFUJAFYBZRTBG-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.69
Rot. Bonds4

About 2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 67251377) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID67251377
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2ncoc2-c2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C27H27N5O2/c33-26-27(12-15-31(16-13-27)24-17-28-21-9-4-5-10-22(21)30-24)11-6-14-32(26)18-23-25(34-19-29-23)20-7-2-1-3-8-20/h1-5,7-10,17,19H,6,11-16,18H2
InChIKeyQVFUJAFYBZRTBG-UHFFFAOYSA-N
XLogP4.69
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 67251377) is 2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2ncoc2-c2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2.
What is the InChIKey of 2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is QVFUJAFYBZRTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c33-26-27(12-15-31(16-13-27)24-17-28-21-9-4-5-10-22(21)30-24)11-6-14-32(26)18-23-25(34-19-29-23)20-7-2-1-3-8-20/h1-5,7-10,17,19H,6,11-16,18H2.
What are the key properties of 2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 453.55 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 67251377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).