4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one

C37H31ClN2O3 — CID 123756600

IUPAC4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(c3ccccc3)C2C2ON(c3ccccc3)C(c3ccccc3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C37H31ClN2O3/c1-42-31-23-21-29(22-24-31)39-35(33(37(39)41)25-11-5-2-6-12-25)36-32(26-17-19-28(38)20-18-26)34(27-13-7-3-8-14-27)40(43-36)30-15-9-4-10-16-30/h2-24,32-36H,1H3
InChIKeyCZUSJQAXSZEZCV-UHFFFAOYSA-N
MW587.12 g/mol
LogP8.19
Rot. Bonds7

About 4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one

4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one (PubChem CID 123756600) has the molecular formula C37H31ClN2O3 and a molecular weight of 587.12 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
PubChem CID123756600
Molecular FormulaC37H31ClN2O3
Molecular Weight587.12 g/mol
Exact Mass586.20
IUPAC Name4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(c3ccccc3)C2C2ON(c3ccccc3)C(c3ccccc3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C37H31ClN2O3/c1-42-31-23-21-29(22-24-31)39-35(33(37(39)41)25-11-5-2-6-12-25)36-32(26-17-19-28(38)20-18-26)34(27-13-7-3-8-14-27)40(43-36)30-15-9-4-10-16-30/h2-24,32-36H,1H3
InChIKeyCZUSJQAXSZEZCV-UHFFFAOYSA-N
XLogP8.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.12
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one with MolForge

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Related Compounds

(3S,3aR,6aR)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 51459346
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3S,3aR,6aR)-2-(4-methoxyphenyl)-3,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7428662
(3S,3aR,6aS)-3,5-bis(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 1043935
(3R,3aS,6aR)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 27794641
(3R,3aR,6aR)-3-(4-chlorophenyl)-5-(3-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98349892
(3S,3aR,6aS)-2-(4-chlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 11918404
(3S,3aR,6aR)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 124711419
(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
CID 71385795
(3S,3aR,6aR)-3,5-bis(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 51524900
(3R,3aR,6aR)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98131611
3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 2867394

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one?
The IUPAC name of 4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one (CID 123756600) is 4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one is COc1ccc(N2C(=O)C(c3ccccc3)C2C2ON(c3ccccc3)C(c3ccccc3)C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one?
The InChIKey is CZUSJQAXSZEZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31ClN2O3/c1-42-31-23-21-29(22-24-31)39-35(33(37(39)41)25-11-5-2-6-12-25)36-32(26-17-19-28(38)20-18-26)34(27-13-7-3-8-14-27)40(43-36)30-15-9-4-10-16-30/h2-24,32-36H,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one?
4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one has a molecular weight of 587.12 g/mol, XLogP of 8.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-2,3-diphenyl-1,2-oxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one is sourced from PubChem (CID 123756600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).