2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C21H24FN3O3 — CID 45214414

IUPAC2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1ocnc1C(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C21H24FN3O3/c1-2-17-18(23-14-28-17)19(26)25-11-9-21(13-25)8-3-10-24(20(21)27)12-15-4-6-16(22)7-5-15/h4-7,14H,2-3,8-13H2,1H3
InChIKeyZLYOKOYNXWRXJW-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.03
Rot. Bonds4

About 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45214414) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45214414
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1ocnc1C(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C21H24FN3O3/c1-2-17-18(23-14-28-17)19(26)25-11-9-21(13-25)8-3-10-24(20(21)27)12-15-4-6-16(22)7-5-15/h4-7,14H,2-3,8-13H2,1H3
InChIKeyZLYOKOYNXWRXJW-UHFFFAOYSA-N
XLogP3.03
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45214414) is 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CCc1ocnc1C(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1.
What is the InChIKey of 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZLYOKOYNXWRXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-2-17-18(23-14-28-17)19(26)25-11-9-21(13-25)8-3-10-24(20(21)27)12-15-4-6-16(22)7-5-15/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 385.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45214414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).