8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

C18H19N3O4 — CID 155999520

IUPAC8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1cocn1)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C18H19N3O4/c22-16-10-25-18(12-21(16)14-5-2-1-3-6-14)7-4-8-20(11-18)17(23)15-9-24-13-19-15/h1-3,5-6,9,13H,4,7-8,10-12H2
InChIKeyNDOMJGUUOQXFLL-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.71
Rot. Bonds2

About 8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 155999520) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
PubChem CID155999520
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1cocn1)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C18H19N3O4/c22-16-10-25-18(12-21(16)14-5-2-1-3-6-14)7-4-8-20(11-18)17(23)15-9-24-13-19-15/h1-3,5-6,9,13H,4,7-8,10-12H2
InChIKeyNDOMJGUUOQXFLL-UHFFFAOYSA-N
XLogP1.71
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999580
8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999467
4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986157
8-benzoyl-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999581
8-(4-methylthiophene-2-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999528
8-[3-(azepan-1-yl)propanoyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999557
8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999463
8-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999575
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999561
4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118739369
4-(4-fluorophenyl)-8-(2-phenoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999582

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 155999520) is 8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is O=C(c1cocn1)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NDOMJGUUOQXFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-16-10-25-18(12-21(16)14-5-2-1-3-6-14)7-4-8-20(11-18)17(23)15-9-24-13-19-15/h1-3,5-6,9,13H,4,7-8,10-12H2.
What are the key properties of 8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 341.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155999520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).