4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one

C24H19NO4S — CID 162664224

IUPAC4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
SMILESCS(=O)(=O)c1ccc(C2C(c3ccccc3)=NOC23Cc2ccccc2C3=O)cc1
InChIInChI=1S/C24H19NO4S/c1-30(27,28)19-13-11-16(12-14-19)21-22(17-7-3-2-4-8-17)25-29-24(21)15-18-9-5-6-10-20(18)23(24)26/h2-14,21H,15H2,1H3
InChIKeyLXPJJFLQNSDWPH-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.79
Rot. Bonds3

About 4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one

4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one (PubChem CID 162664224) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one.

Molecular Properties

Compound Name4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
PubChem CID162664224
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC Name4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
SMILESCS(=O)(=O)c1ccc(C2C(c3ccccc3)=NOC23Cc2ccccc2C3=O)cc1
InChIInChI=1S/C24H19NO4S/c1-30(27,28)19-13-11-16(12-14-19)21-22(17-7-3-2-4-8-17)25-29-24(21)15-18-9-5-6-10-20(18)23(24)26/h2-14,21H,15H2,1H3
InChIKeyLXPJJFLQNSDWPH-UHFFFAOYSA-N
XLogP3.79
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The IUPAC name of 4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one (CID 162664224) is 4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one.
What is the SMILES notation for 4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The canonical SMILES for 4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one is CS(=O)(=O)c1ccc(C2C(c3ccccc3)=NOC23Cc2ccccc2C3=O)cc1.
What is the InChIKey of 4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The InChIKey is LXPJJFLQNSDWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4S/c1-30(27,28)19-13-11-16(12-14-19)21-22(17-7-3-2-4-8-17)25-29-24(21)15-18-9-5-6-10-20(18)23(24)26/h2-14,21H,15H2,1H3.
What are the key properties of 4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one has a molecular weight of 417.49 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one is sourced from PubChem (CID 162664224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).