(3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one

C21H13FN2O4 — CID 98383085

IUPAC(3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESO=C(c1ccco1)[C@@H]1C(c2ccc(F)cc2)=NO[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H13FN2O4/c22-13-9-7-12(8-10-13)18-17(19(25)16-6-3-11-27-16)21(28-24-18)14-4-1-2-5-15(14)23-20(21)26/h1-11,17H,(H,23,26)/t17-,21+/m0/s1
InChIKeyVTRMLRJKIMMUDQ-LAUBAEHRSA-N
MW376.34 g/mol
LogP3.50
Rot. Bonds3

About (3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one

(3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (PubChem CID 98383085) has the molecular formula C21H13FN2O4 and a molecular weight of 376.34 g/mol. Its IUPAC name is (3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.

Molecular Properties

Compound Name(3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
PubChem CID98383085
Molecular FormulaC21H13FN2O4
Molecular Weight376.34 g/mol
Exact Mass376.09
IUPAC Name(3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESO=C(c1ccco1)[C@@H]1C(c2ccc(F)cc2)=NO[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H13FN2O4/c22-13-9-7-12(8-10-13)18-17(19(25)16-6-3-11-27-16)21(28-24-18)14-4-1-2-5-15(14)23-20(21)26/h1-11,17H,(H,23,26)/t17-,21+/m0/s1
InChIKeyVTRMLRJKIMMUDQ-LAUBAEHRSA-N
XLogP3.50
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The IUPAC name of (3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (CID 98383085) is (3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.
What is the SMILES notation for (3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The canonical SMILES for (3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is O=C(c1ccco1)[C@@H]1C(c2ccc(F)cc2)=NO[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The InChIKey is VTRMLRJKIMMUDQ-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H13FN2O4/c22-13-9-7-12(8-10-13)18-17(19(25)16-6-3-11-27-16)21(28-24-18)14-4-1-2-5-15(14)23-20(21)26/h1-11,17H,(H,23,26)/t17-,21+/m0/s1.
What are the key properties of (3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
(3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one has a molecular weight of 376.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4'R)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is sourced from PubChem (CID 98383085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).