4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one

C26H21ClN2O4 — CID 69050043

IUPAC4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1Cc1ccc(Oc2ccc(C=C3C(=O)Nc4ccccc43)c(Cl)c2)cc1
InChIInChI=1S/C26H21ClN2O4/c1-29-18(15-32-26(29)31)12-16-6-9-19(10-7-16)33-20-11-8-17(23(27)14-20)13-22-21-4-2-3-5-24(21)28-25(22)30/h2-11,13-14,18H,12,15H2,1H3,(H,28,30)
InChIKeyONLKVJKHYPNYEI-UHFFFAOYSA-N
MW460.92 g/mol
LogP5.62
Rot. Bonds5

About 4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one

4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 69050043) has the molecular formula C26H21ClN2O4 and a molecular weight of 460.92 g/mol. Its IUPAC name is 4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID69050043
Molecular FormulaC26H21ClN2O4
Molecular Weight460.92 g/mol
Exact Mass460.12
IUPAC Name4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1Cc1ccc(Oc2ccc(C=C3C(=O)Nc4ccccc43)c(Cl)c2)cc1
InChIInChI=1S/C26H21ClN2O4/c1-29-18(15-32-26(29)31)12-16-6-9-19(10-7-16)33-20-11-8-17(23(27)14-20)13-22-21-4-2-3-5-24(21)28-25(22)30/h2-11,13-14,18H,12,15H2,1H3,(H,28,30)
InChIKeyONLKVJKHYPNYEI-UHFFFAOYSA-N
XLogP5.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.92
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one (CID 69050043) is 4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OCC1Cc1ccc(Oc2ccc(C=C3C(=O)Nc4ccccc43)c(Cl)c2)cc1.
What is the InChIKey of 4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is ONLKVJKHYPNYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O4/c1-29-18(15-32-26(29)31)12-16-6-9-19(10-7-16)33-20-11-8-17(23(27)14-20)13-22-21-4-2-3-5-24(21)28-25(22)30/h2-11,13-14,18H,12,15H2,1H3,(H,28,30).
What are the key properties of 4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one?
4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 460.92 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69050043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).