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

C23H23N3O3 — CID 59425757

IUPAC1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C23H23N3O3/c1-4-25-21-13-18(29-15(2)3)9-10-19(21)20(14-24)22(25)16-5-7-17(8-6-16)26-11-12-28-23(26)27/h5-10,13,15H,4,11-12H2,1-3H3
InChIKeyNGANHLNKVKNTEN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.94
Rot. Bonds5

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

1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile (PubChem CID 59425757) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
PubChem CID59425757
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C23H23N3O3/c1-4-25-21-13-18(29-15(2)3)9-10-19(21)20(14-24)22(25)16-5-7-17(8-6-16)26-11-12-28-23(26)27/h5-10,13,15H,4,11-12H2,1-3H3
InChIKeyNGANHLNKVKNTEN-UHFFFAOYSA-N
XLogP4.94
TPSA67.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The IUPAC name of 1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile (CID 59425757) is 1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The canonical SMILES for 1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile is CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC(C)C)cc21.
What is the InChIKey of 1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
The InChIKey is NGANHLNKVKNTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-25-21-13-18(29-15(2)3)9-10-19(21)20(14-24)22(25)16-5-7-17(8-6-16)26-11-12-28-23(26)27/h5-10,13,15H,4,11-12H2,1-3H3.
What are the key properties of 1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile?
1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile has a molecular weight of 389.46 g/mol, XLogP of 4.94, 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-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile is sourced from PubChem (CID 59425757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).