(3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one

C24H20N2O4 — CID 73054466

IUPAC(3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESCOc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H20N2O4/c1-28-17-11-7-15(8-12-17)21-22(16-9-13-18(29-2)14-10-16)26-30-24(21)19-5-3-4-6-20(19)25-23(24)27/h3-14,21H,1-2H3,(H,25,27)/t21-,24-/m1/s1
InChIKeySRHICQWNMDTHGT-ZJSXRUAMSA-N
MW400.43 g/mol
LogP4.07
Rot. Bonds4

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

(3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (PubChem CID 73054466) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is (3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.

Molecular Properties

Compound Name(3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
PubChem CID73054466
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name(3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESCOc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H20N2O4/c1-28-17-11-7-15(8-12-17)21-22(16-9-13-18(29-2)14-10-16)26-30-24(21)19-5-3-4-6-20(19)25-23(24)27/h3-14,21H,1-2H3,(H,25,27)/t21-,24-/m1/s1
InChIKeySRHICQWNMDTHGT-ZJSXRUAMSA-N
XLogP4.07
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The IUPAC name of (3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (CID 73054466) is (3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.
What is the SMILES notation for (3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The canonical SMILES for (3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of (3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The InChIKey is SRHICQWNMDTHGT-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-28-17-11-7-15(8-12-17)21-22(16-9-13-18(29-2)14-10-16)26-30-24(21)19-5-3-4-6-20(19)25-23(24)27/h3-14,21H,1-2H3,(H,25,27)/t21-,24-/m1/s1.
What are the key properties of (3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
(3S,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one has a molecular weight of 400.43 g/mol, XLogP of 4.07, 4 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'-bis(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is sourced from PubChem (CID 73054466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).