(3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one

C22H15ClN2O2 — CID 73054746

IUPAC(3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESO=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccccc1)[C@H]2c1ccccc1
InChIInChI=1S/C22H15ClN2O2/c23-16-11-12-17-18(13-16)24-21(26)22(17)19(14-7-3-1-4-8-14)20(25-27-22)15-9-5-2-6-10-15/h1-13,19H,(H,24,26)/t19-,22-/m1/s1
InChIKeyWTEDTUPFMNTXFA-DENIHFKCSA-N
MW374.83 g/mol
LogP4.71
Rot. Bonds2

About (3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one

(3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (PubChem CID 73054746) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is (3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.

Molecular Properties

Compound Name(3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
PubChem CID73054746
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name(3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESO=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccccc1)[C@H]2c1ccccc1
InChIInChI=1S/C22H15ClN2O2/c23-16-11-12-17-18(13-16)24-21(26)22(17)19(14-7-3-1-4-8-14)20(25-27-22)15-9-5-2-6-10-15/h1-13,19H,(H,24,26)/t19-,22-/m1/s1
InChIKeyWTEDTUPFMNTXFA-DENIHFKCSA-N
XLogP4.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The IUPAC name of (3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (CID 73054746) is (3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.
What is the SMILES notation for (3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The canonical SMILES for (3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is O=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccccc1)[C@H]2c1ccccc1.
What is the InChIKey of (3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The InChIKey is WTEDTUPFMNTXFA-DENIHFKCSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-16-11-12-17-18(13-16)24-21(26)22(17)19(14-7-3-1-4-8-14)20(25-27-22)15-9-5-2-6-10-15/h1-13,19H,(H,24,26)/t19-,22-/m1/s1.
What are the key properties of (3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
(3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one has a molecular weight of 374.83 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4'R)-6-chloro-3',4'-diphenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is sourced from PubChem (CID 73054746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).