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

C15H19FN2O3 — CID 7355951

IUPAC(4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESC[C@@]1(O)N(Nc2ccc(F)cc2)C(=O)OC12CCCCC2
InChIInChI=1S/C15H19FN2O3/c1-14(20)15(9-3-2-4-10-15)21-13(19)18(14)17-12-7-5-11(16)6-8-12/h5-8,17,20H,2-4,9-10H2,1H3/t14-/m0/s1
InChIKeyAWAMXYAEGOEIFH-AWEZNQCLSA-N
MW294.33 g/mol
LogP3.02
Rot. Bonds2

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

(4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 7355951) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID7355951
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESC[C@@]1(O)N(Nc2ccc(F)cc2)C(=O)OC12CCCCC2
InChIInChI=1S/C15H19FN2O3/c1-14(20)15(9-3-2-4-10-15)21-13(19)18(14)17-12-7-5-11(16)6-8-12/h5-8,17,20H,2-4,9-10H2,1H3/t14-/m0/s1
InChIKeyAWAMXYAEGOEIFH-AWEZNQCLSA-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
8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 3077318
(1R,4R)-N-(4-fluorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 6544490
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
N-(4-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
CID 126421332
N-(4-fluorophenyl)piperidin-1-amine;hydrochloride
CID 172725388
N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
CID 71278100
1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 115437467
2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 17484602
(4-fluorophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
CID 46299736
3-acetyl-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
CID 118370736

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 7355951) is (4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is C[C@@]1(O)N(Nc2ccc(F)cc2)C(=O)OC12CCCCC2.
What is the InChIKey of (4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is AWAMXYAEGOEIFH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-14(20)15(9-3-2-4-10-15)21-13(19)18(14)17-12-7-5-11(16)6-8-12/h5-8,17,20H,2-4,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
(4S)-3-(4-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 (4S)-3-(4-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 7355951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).