2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

C19H20FN3O3 — CID 175398396

IUPAC2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cnco1)N1CCC2(CC1)CCN(Cc1ccccc1F)C2=O
InChIInChI=1S/C19H20FN3O3/c20-15-4-2-1-3-14(15)12-23-10-7-19(18(23)25)5-8-22(9-6-19)17(24)16-11-21-13-26-16/h1-4,11,13H,5-10,12H2
InChIKeyUZZLFIPFNSVFFC-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.47
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 175398396) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID175398396
Molecular FormulaC19H20FN3O3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cnco1)N1CCC2(CC1)CCN(Cc1ccccc1F)C2=O
InChIInChI=1S/C19H20FN3O3/c20-15-4-2-1-3-14(15)12-23-10-7-19(18(23)25)5-8-22(9-6-19)17(24)16-11-21-13-26-16/h1-4,11,13H,5-10,12H2
InChIKeyUZZLFIPFNSVFFC-UHFFFAOYSA-N
XLogP2.47
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (CID 175398396) is 2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is O=C(c1cnco1)N1CCC2(CC1)CCN(Cc1ccccc1F)C2=O.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UZZLFIPFNSVFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-4-2-1-3-14(15)12-23-10-7-19(18(23)25)5-8-22(9-6-19)17(24)16-11-21-13-26-16/h1-4,11,13H,5-10,12H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 357.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-8-(1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 175398396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).