3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

C15H19FN2O3 — CID 5305843

IUPAC3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1(O)N(Nc2ccccc2F)C(=O)OC12CCCCC2
InChIInChI=1S/C15H19FN2O3/c1-14(20)15(9-5-2-6-10-15)21-13(19)18(14)17-12-8-4-3-7-11(12)16/h3-4,7-8,17,20H,2,5-6,9-10H2,1H3
InChIKeyFNZNDRPBFCIJNW-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.02
Rot. Bonds2

About 3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 5305843) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID5305843
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1(O)N(Nc2ccccc2F)C(=O)OC12CCCCC2
InChIInChI=1S/C15H19FN2O3/c1-14(20)15(9-5-2-6-10-15)21-13(19)18(14)17-12-8-4-3-7-11(12)16/h3-4,7-8,17,20H,2,5-6,9-10H2,1H3
InChIKeyFNZNDRPBFCIJNW-UHFFFAOYSA-N
XLogP3.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-hydroxy-4-methyl-3-(2-methylanilino)-1-oxa-3-azaspiro[4.5]decan-2-one
CID 7347283
(4R)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 7354162
(4S)-3-(2-ethoxyanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 7354163
(4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 7355951
N-(2-fluorophenyl)-3-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide
CID 7354305
3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2-fluorophenyl)propanamide
CID 5305223
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
1-(2-fluoroanilino)cyclohexane-1-carboxylate
CID 7158135
(1R,4R)-N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 6558828
N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 2972132
4-[(4S)-4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]butanoic acid
CID 1254843
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 5305843) is 3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is CC1(O)N(Nc2ccccc2F)C(=O)OC12CCCCC2.
What is the InChIKey of 3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is FNZNDRPBFCIJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-14(20)15(9-5-2-6-10-15)21-13(19)18(14)17-12-8-4-3-7-11(12)16/h3-4,7-8,17,20H,2,5-6,9-10H2,1H3.
What are the key properties of 3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 294.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 5305843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).