(2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one

C24H18ClNO2 — CID 139058270

IUPAC(2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
SMILESO=C1c2ccccc2CC[C@@]12ON=C(c1ccc(Cl)cc1)[C@@H]2c1ccccc1
InChIInChI=1S/C24H18ClNO2/c25-19-12-10-18(11-13-19)22-21(17-7-2-1-3-8-17)24(28-26-22)15-14-16-6-4-5-9-20(16)23(24)27/h1-13,21H,14-15H2/t21-,24-/m0/s1
InChIKeyFHIDQHLVEYYRQP-URXFXBBRSA-N
MW387.87 g/mol
LogP5.43
Rot. Bonds2

About (2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one

(2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one (PubChem CID 139058270) has the molecular formula C24H18ClNO2 and a molecular weight of 387.87 g/mol. Its IUPAC name is (2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one.

Molecular Properties

Compound Name(2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
PubChem CID139058270
Molecular FormulaC24H18ClNO2
Molecular Weight387.87 g/mol
Exact Mass387.10
IUPAC Name(2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
SMILESO=C1c2ccccc2CC[C@@]12ON=C(c1ccc(Cl)cc1)[C@@H]2c1ccccc1
InChIInChI=1S/C24H18ClNO2/c25-19-12-10-18(11-13-19)22-21(17-7-2-1-3-8-17)24(28-26-22)15-14-16-6-4-5-9-20(16)23(24)27/h1-13,21H,14-15H2/t21-,24-/m0/s1
InChIKeyFHIDQHLVEYYRQP-URXFXBBRSA-N
XLogP5.43
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[(4-Chlorophenyl)methoxyimino]anthracen-9-one
CID 46855469
4-tert-butyl-3',4'-bis(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
CID 123261838
4-(4-chlorophenyl)-3-(4-fluorophenyl)-3'-methylspiro[4H-1,2-oxazole-5,6'-8,9-dihydro-7H-benzo[7]annulene]-5'-one
CID 16104370
4-(4-chlorophenyl)-3-(4-fluorophenyl)-2',3'-dimethylspiro[4H-1,2-oxazole-5,6'-8,9-dihydro-7H-benzo[7]annulene]-5'-one
CID 16104374
3-(4-chlorophenyl)-4-(p-tolyl)spiro[4H-isoxazole-5,3'-isothiochromane]-4'-one
CID 405636
3'-(4-Chloro-phenyl)4'-phenyl-4'H-spiro[isothiochromene-3,5'-isoxazol]-4(1H)-one
CID 405640
Acetophenone, 2-[5-(p-chlorophenyl)-3-phenyl-2-isoxazolin-5-yl]-
CID 620582
[(4R,5R)-5-(4-chlorobenzoyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-(4-methylphenyl)methanone
CID 10501374
[(4R,5R)-3-(4-chlorophenyl)-5-(4-methylbenzoyl)-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 10573254
3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
CID 10781905
3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
CID 10937623
[5-benzoyl-3-(4-chlorophenyl)-4H-1,2-oxazol-5-yl]-phenylmethanone
CID 10992770

Frequently Asked Questions

What is the IUPAC name of (2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
The IUPAC name of (2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one (CID 139058270) is (2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one.
What is the SMILES notation for (2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
The canonical SMILES for (2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one is O=C1c2ccccc2CC[C@@]12ON=C(c1ccc(Cl)cc1)[C@@H]2c1ccccc1.
What is the InChIKey of (2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
The InChIKey is FHIDQHLVEYYRQP-URXFXBBRSA-N. The full InChI is InChI=1S/C24H18ClNO2/c25-19-12-10-18(11-13-19)22-21(17-7-2-1-3-8-17)24(28-26-22)15-14-16-6-4-5-9-20(16)23(24)27/h1-13,21H,14-15H2/t21-,24-/m0/s1.
What are the key properties of (2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
(2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one has a molecular weight of 387.87 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4'S)-3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one is sourced from PubChem (CID 139058270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).