(2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one

C24H19NO2 — CID 139053966

IUPAC(2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
SMILESC[C@H]1c2ccccc2C(=O)[C@]12ON=C(c1ccccc1)[C@@H]2c1ccccc1
InChIInChI=1S/C24H19NO2/c1-16-19-14-8-9-15-20(19)23(26)24(16)21(17-10-4-2-5-11-17)22(25-27-24)18-12-6-3-7-13-18/h2-16,21H,1H3/t16-,21-,24-/m0/s1
InChIKeyVNMYZJCSHCVUJD-SWDVRCMSSA-N
MW353.42 g/mol
LogP4.94
Rot. Bonds2

About (2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one

(2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one (PubChem CID 139053966) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one.

Molecular Properties

Compound Name(2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
PubChem CID139053966
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name(2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
SMILESC[C@H]1c2ccccc2C(=O)[C@]12ON=C(c1ccccc1)[C@@H]2c1ccccc1
InChIInChI=1S/C24H19NO2/c1-16-19-14-8-9-15-20(19)23(26)24(16)21(17-10-4-2-5-11-17)22(25-27-24)18-12-6-3-7-13-18/h2-16,21H,1H3/t16-,21-,24-/m0/s1
InChIKeyVNMYZJCSHCVUJD-SWDVRCMSSA-N
XLogP4.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4'-(4-methylsulfonylphenyl)-3'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
CID 162664224
[4-Phenyl-4,5-dihydro-1',3'-dioxospiro[isoxazole-5,2-indane]-3-yl](phenyl)methanone
CID 2815435
(2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
CID 139053965
3,4'-Diphenyl-3'-p-tolyl-4'H-spiro[indan-2,5'-[1,2]oxazol]-1-one
CID 139087728
[4-(4-Methylphenyl)-4,5-dihydro-1',3'-dioxospiro[isoxazole-5,2-indane]-3-yl](phenyl)methanone
CID 2815436
Methanone, (4,5-dihydro-3,4-diphenyl-5-isoxazolyl)phenyl-
CID 571158
3-methylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
CID 58433194
3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
CID 58433195
1-(Fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one
CID 58612667
[2-[5-[(2-Methylphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-phenylmethanone
CID 164954915
(4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
CID 1236177
(4R)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
CID 6553005

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The IUPAC name of (2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one (CID 139053966) is (2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one.
What is the SMILES notation for (2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The canonical SMILES for (2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one is C[C@H]1c2ccccc2C(=O)[C@]12ON=C(c1ccccc1)[C@@H]2c1ccccc1.
What is the InChIKey of (2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The InChIKey is VNMYZJCSHCVUJD-SWDVRCMSSA-N. The full InChI is InChI=1S/C24H19NO2/c1-16-19-14-8-9-15-20(19)23(26)24(16)21(17-10-4-2-5-11-17)22(25-27-24)18-12-6-3-7-13-18/h2-16,21H,1H3/t16-,21-,24-/m0/s1.
What are the key properties of (2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
(2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one has a molecular weight of 353.42 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4'S)-3-methyl-3',4'-diphenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one is sourced from PubChem (CID 139053966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).