4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile

C19H21N3O4 — CID 19439148

IUPAC4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(N2CC(CN3CCC4(CCC(=O)O4)CC3)OC2=O)cc1
InChIInChI=1S/C19H21N3O4/c20-11-14-1-3-15(4-2-14)22-13-16(25-18(22)24)12-21-9-7-19(8-10-21)6-5-17(23)26-19/h1-4,16H,5-10,12-13H2
InChIKeyMJAFAQJHESEOIN-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.06
Rot. Bonds3

About 4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile

4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile (PubChem CID 19439148) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile
PubChem CID19439148
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(N2CC(CN3CCC4(CCC(=O)O4)CC3)OC2=O)cc1
InChIInChI=1S/C19H21N3O4/c20-11-14-1-3-15(4-2-14)22-13-16(25-18(22)24)12-21-9-7-19(8-10-21)6-5-17(23)26-19/h1-4,16H,5-10,12-13H2
InChIKeyMJAFAQJHESEOIN-UHFFFAOYSA-N
XLogP2.06
TPSA82.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile?
The IUPAC name of 4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile (CID 19439148) is 4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile.
What is the SMILES notation for 4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile?
The canonical SMILES for 4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile is N#Cc1ccc(N2CC(CN3CCC4(CCC(=O)O4)CC3)OC2=O)cc1.
What is the InChIKey of 4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile?
The InChIKey is MJAFAQJHESEOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c20-11-14-1-3-15(4-2-14)22-13-16(25-18(22)24)12-21-9-7-19(8-10-21)6-5-17(23)26-19/h1-4,16H,5-10,12-13H2.
What are the key properties of 4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile?
4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile has a molecular weight of 355.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-5-[(2-oxo-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]-1,3-oxazolidin-3-yl]benzonitrile is sourced from PubChem (CID 19439148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).