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

C21H19N3O3 — CID 58694338

IUPAC1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
SMILESCCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C21H19N3O3/c1-3-23-19-12-16(26-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)24-10-11-27-21(24)25/h4-9,12H,3,10-11H2,1-2H3
InChIKeyLSSCDZFETJNAAR-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.17
Rot. Bonds4

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

1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile (PubChem CID 58694338) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
PubChem CID58694338
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
SMILESCCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C21H19N3O3/c1-3-23-19-12-16(26-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)24-10-11-27-21(24)25/h4-9,12H,3,10-11H2,1-2H3
InChIKeyLSSCDZFETJNAAR-UHFFFAOYSA-N
XLogP4.17
TPSA67.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?
The IUPAC name of 1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile (CID 58694338) is 1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile is CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?
The InChIKey is LSSCDZFETJNAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-3-23-19-12-16(26-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)24-10-11-27-21(24)25/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?
1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile has a molecular weight of 361.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 58694338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).