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

C25H20N2O3 — CID 7709369

IUPAC(3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESCc1ccc(C(=O)[C@@H]2C(c3ccc(C)cc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C25H20N2O3/c1-15-7-11-17(12-8-15)22-21(23(28)18-13-9-16(2)10-14-18)25(30-27-22)19-5-3-4-6-20(19)26-24(25)29/h3-14,21H,1-2H3,(H,26,29)/t21-,25+/m0/s1
InChIKeyIHPSCQSJANIJAV-SQJMNOBHSA-N
MW396.45 g/mol
LogP4.38
Rot. Bonds3

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

(3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (PubChem CID 7709369) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is (3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.

Molecular Properties

Compound Name(3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
PubChem CID7709369
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name(3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESCc1ccc(C(=O)[C@@H]2C(c3ccc(C)cc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C25H20N2O3/c1-15-7-11-17(12-8-15)22-21(23(28)18-13-9-16(2)10-14-18)25(30-27-22)19-5-3-4-6-20(19)26-24(25)29/h3-14,21H,1-2H3,(H,26,29)/t21-,25+/m0/s1
InChIKeyIHPSCQSJANIJAV-SQJMNOBHSA-N
XLogP4.38
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)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)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The IUPAC name of (3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (CID 7709369) is (3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.
What is the SMILES notation for (3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The canonical SMILES for (3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is Cc1ccc(C(=O)[C@@H]2C(c3ccc(C)cc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of (3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The InChIKey is IHPSCQSJANIJAV-SQJMNOBHSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-15-7-11-17(12-8-15)22-21(23(28)18-13-9-16(2)10-14-18)25(30-27-22)19-5-3-4-6-20(19)26-24(25)29/h3-14,21H,1-2H3,(H,26,29)/t21-,25+/m0/s1.
What are the key properties of (3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
(3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one has a molecular weight of 396.45 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4'R)-4'-(4-methylbenzoyl)-3'-(4-methylphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is sourced from PubChem (CID 7709369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).