1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile

C23H22FN3O3 — CID 58694086

IUPAC1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(F)c(N3CCOC3=O)c2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C23H22FN3O3/c1-4-26-20-12-16(30-14(2)3)6-7-17(20)18(13-25)22(26)15-5-8-19(24)21(11-15)27-9-10-29-23(27)28/h5-8,11-12,14H,4,9-10H2,1-3H3
InChIKeyMLRWGHBMMDAOBL-UHFFFAOYSA-N
MW407.45 g/mol
LogP5.08
Rot. Bonds5

About 1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile

1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile (PubChem CID 58694086) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
PubChem CID58694086
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(F)c(N3CCOC3=O)c2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C23H22FN3O3/c1-4-26-20-12-16(30-14(2)3)6-7-17(20)18(13-25)22(26)15-5-8-19(24)21(11-15)27-9-10-29-23(27)28/h5-8,11-12,14H,4,9-10H2,1-3H3
InChIKeyMLRWGHBMMDAOBL-UHFFFAOYSA-N
XLogP5.08
TPSA67.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile 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 1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The IUPAC name of 1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile (CID 58694086) is 1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The canonical SMILES for 1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile is CCn1c(-c2ccc(F)c(N3CCOC3=O)c2)c(C#N)c2ccc(OC(C)C)cc21.
What is the InChIKey of 1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The InChIKey is MLRWGHBMMDAOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-4-26-20-12-16(30-14(2)3)6-7-17(20)18(13-25)22(26)15-5-8-19(24)21(11-15)27-9-10-29-23(27)28/h5-8,11-12,14H,4,9-10H2,1-3H3.
What are the key properties of 1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile has a molecular weight of 407.45 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile is sourced from PubChem (CID 58694086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).