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

C23H16ClNO2 — CID 10937623

IUPAC3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
SMILESO=C1c2ccccc2CC12ON=C(c1ccc(Cl)cc1)C2c1ccccc1
InChIInChI=1S/C23H16ClNO2/c24-18-12-10-16(11-13-18)21-20(15-6-2-1-3-7-15)23(27-25-21)14-17-8-4-5-9-19(17)22(23)26/h1-13,20H,14H2
InChIKeyBPBGUOCUYLSEEC-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.04
Rot. Bonds2

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

3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one (PubChem CID 10937623) has the molecular formula C23H16ClNO2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one.

Molecular Properties

Compound Name3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
PubChem CID10937623
Molecular FormulaC23H16ClNO2
Molecular Weight373.84 g/mol
Exact Mass373.09
IUPAC Name3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
SMILESO=C1c2ccccc2CC12ON=C(c1ccc(Cl)cc1)C2c1ccccc1
InChIInChI=1S/C23H16ClNO2/c24-18-12-10-16(11-13-18)21-20(15-6-2-1-3-7-15)23(27-25-21)14-17-8-4-5-9-19(17)22(23)26/h1-13,20H,14H2
InChIKeyBPBGUOCUYLSEEC-UHFFFAOYSA-N
XLogP5.04
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3'-(4-chlorophenyl)-4'-(4-methylsulfonylphenyl)spiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
CID 162670056
3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'-1',2',3',4'-tetrahydronaphthalen-1'-one
CID 139058270
3,4'-Diphenyl-3'-p-tolyl-4'H-spiro[indan-2,5'-[1,2]oxazol]-1-one
CID 139087728
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
9H-fluoren-9-one O-(4-chlorobenzoyl)oxime
CID 2244744
3-benzoyl-4-(4-chlorophenyl)spiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
CID 2814730
Acetophenone, 2-[5-(p-chlorophenyl)-3-phenyl-2-isoxazolin-5-yl]-
CID 620582
[5-benzoyl-3-(4-chlorophenyl)-4H-1,2-oxazol-5-yl]-phenylmethanone
CID 10992770
3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
CID 15316876
1-[2-[5-(4-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]phenyl]ethanone
CID 22295335
(4S)-3-benzoyl-4-(4-chlorophenyl)spiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
CID 29993271

Frequently Asked Questions

What is the IUPAC name of 3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The IUPAC name of 3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one (CID 10937623) is 3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one.
What is the SMILES notation for 3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The canonical SMILES for 3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one is O=C1c2ccccc2CC12ON=C(c1ccc(Cl)cc1)C2c1ccccc1.
What is the InChIKey of 3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The InChIKey is BPBGUOCUYLSEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO2/c24-18-12-10-16(11-13-18)21-20(15-6-2-1-3-7-15)23(27-25-21)14-17-8-4-5-9-19(17)22(23)26/h1-13,20H,14H2.
What are the key properties of 3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one has a molecular weight of 373.84 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(4-chlorophenyl)-4'-phenylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one is sourced from PubChem (CID 10937623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).