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

C27H27N5O2 — CID 67253338

IUPAC2-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2ccccc2-c2ncco2)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C27H27N5O2/c33-26-27(11-15-31(16-12-27)24-18-29-22-8-3-4-9-23(22)30-24)10-5-14-32(26)19-20-6-1-2-7-21(20)25-28-13-17-34-25/h1-4,6-9,13,17-18H,5,10-12,14-16,19H2
InChIKeyDLWQIGJVBFVIJX-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.69
Rot. Bonds4

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

2-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 67253338) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID67253338
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name2-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2ccccc2-c2ncco2)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C27H27N5O2/c33-26-27(11-15-31(16-12-27)24-18-29-22-8-3-4-9-23(22)30-24)10-5-14-32(26)19-20-6-1-2-7-21(20)25-28-13-17-34-25/h1-4,6-9,13,17-18H,5,10-12,14-16,19H2
InChIKeyDLWQIGJVBFVIJX-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-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 67253338) is 2-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2ccccc2-c2ncco2)CCCC12CCN(c1cnc3ccccc3n1)CC2.
What is the InChIKey of 2-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is DLWQIGJVBFVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c33-26-27(11-15-31(16-12-27)24-18-29-22-8-3-4-9-23(22)30-24)10-5-14-32(26)19-20-6-1-2-7-21(20)25-28-13-17-34-25/h1-4,6-9,13,17-18H,5,10-12,14-16,19H2.
What are the key properties of 2-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
2-[[2-(1,3-oxazol-2-yl)phenyl]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-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 67253338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).