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

C23H18N2O3 — CID 73054464

IUPAC(3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESCOc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3/c1-27-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)23(28-25-21)18-9-5-6-10-19(18)24-22(23)26/h2-14,20H,1H3,(H,24,26)/t20-,23-/m1/s1
InChIKeyHRJFNDVIZNTIBG-NFBKMPQASA-N
MW370.41 g/mol
LogP4.06
Rot. Bonds3

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

(3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (PubChem CID 73054464) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.

Molecular Properties

Compound Name(3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
PubChem CID73054464
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name(3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESCOc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3/c1-27-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)23(28-25-21)18-9-5-6-10-19(18)24-22(23)26/h2-14,20H,1H3,(H,24,26)/t20-,23-/m1/s1
InChIKeyHRJFNDVIZNTIBG-NFBKMPQASA-N
XLogP4.06
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The IUPAC name of (3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (CID 73054464) is (3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.
What is the SMILES notation for (3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The canonical SMILES for (3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The InChIKey is HRJFNDVIZNTIBG-NFBKMPQASA-N. The full InChI is InChI=1S/C23H18N2O3/c1-27-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)23(28-25-21)18-9-5-6-10-19(18)24-22(23)26/h2-14,20H,1H3,(H,24,26)/t20-,23-/m1/s1.
What are the key properties of (3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
(3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one has a molecular weight of 370.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4'R)-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is sourced from PubChem (CID 73054464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).