3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one

C18H13Cl2NO2 — CID 11791834

IUPAC3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
SMILESO=C1c2ccccc2CCC12CC(c1c(Cl)cccc1Cl)=NO2
InChIInChI=1S/C18H13Cl2NO2/c19-13-6-3-7-14(20)16(13)15-10-18(23-21-15)9-8-11-4-1-2-5-12(11)17(18)22/h1-7H,8-10H2
InChIKeyPPSYBQHZBGJECZ-UHFFFAOYSA-N
MW346.21 g/mol
LogP4.69
Rot. Bonds1

About 3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one

3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one (PubChem CID 11791834) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one.

Molecular Properties

Compound Name3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
PubChem CID11791834
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
SMILESO=C1c2ccccc2CCC12CC(c1c(Cl)cccc1Cl)=NO2
InChIInChI=1S/C18H13Cl2NO2/c19-13-6-3-7-14(20)16(13)15-10-18(23-21-15)9-8-11-4-1-2-5-12(11)17(18)22/h1-7H,8-10H2
InChIKeyPPSYBQHZBGJECZ-UHFFFAOYSA-N
XLogP4.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-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

6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]-3,4-dihydronaphthalen-1(2H)-one
CID 58200147
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3,4-dihydro-2H-naphthalen-1-one
CID 140199813
3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'-1',2',3',4'-tetrahydronaphthalen-1'-one
CID 139058270
6-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-3,4-dihydro-2H-naphthalen-1-one
CID 148307536
3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
CID 10781905
3-(2,6-dichlorophenyl)-9a-methyl-3aH-benzo[f][1,2]benzoxazole-4,9-dione
CID 13228186
3'-(4-chlorophenyl)-4'-phenylspiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
CID 15316876
9a-tert-butyl-3-(2,6-dichlorophenyl)-3aH-benzo[f][1,2]benzoxazole-4,9-dione
CID 15442607
6,7a-dibenzyl-3-(2,6-dichlorophenyl)-3aH-1,2-benzoxazole-4,7-dione
CID 15442608

Frequently Asked Questions

What is the IUPAC name of 3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
The IUPAC name of 3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one (CID 11791834) is 3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one.
What is the SMILES notation for 3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
The canonical SMILES for 3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one is O=C1c2ccccc2CCC12CC(c1c(Cl)cccc1Cl)=NO2.
What is the InChIKey of 3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
The InChIKey is PPSYBQHZBGJECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c19-13-6-3-7-14(20)16(13)15-10-18(23-21-15)9-8-11-4-1-2-5-12(11)17(18)22/h1-7H,8-10H2.
What are the key properties of 3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one has a molecular weight of 346.21 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2,6-dichlorophenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one is sourced from PubChem (CID 11791834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).