4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one

C18H14ClFN2O2 — CID 74404760

IUPAC4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1c1cc2cc(Cl)cc(F)c2[nH]1
InChIInChI=1S/C18H14ClFN2O2/c19-13-7-12-8-16(21-17(12)15(20)9-13)22-14(10-24-18(22)23)6-11-4-2-1-3-5-11/h1-5,7-9,14,21H,6,10H2
InChIKeyVEXUXZJSEVFMKT-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.53
Rot. Bonds3

About 4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one

4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one (PubChem CID 74404760) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
PubChem CID74404760
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1c1cc2cc(Cl)cc(F)c2[nH]1
InChIInChI=1S/C18H14ClFN2O2/c19-13-7-12-8-16(21-17(12)15(20)9-13)22-14(10-24-18(22)23)6-11-4-2-1-3-5-11/h1-5,7-9,14,21H,6,10H2
InChIKeyVEXUXZJSEVFMKT-UHFFFAOYSA-N
XLogP4.53
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-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-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one (CID 74404760) is 4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one is O=C1OCC(Cc2ccccc2)N1c1cc2cc(Cl)cc(F)c2[nH]1.
What is the InChIKey of 4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is VEXUXZJSEVFMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c19-13-7-12-8-16(21-17(12)15(20)9-13)22-14(10-24-18(22)23)6-11-4-2-1-3-5-11/h1-5,7-9,14,21H,6,10H2.
What are the key properties of 4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one?
4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 344.77 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(5-chloro-7-fluoro-1H-indol-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 74404760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).