3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one

C18H19N3O2S — CID 47034419

IUPAC3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCCc1cccc2c(-c3csc(CCN4CCOC4=O)n3)c[nH]c12
InChIInChI=1S/C18H19N3O2S/c1-2-12-4-3-5-13-14(10-19-17(12)13)15-11-24-16(20-15)6-7-21-8-9-23-18(21)22/h3-5,10-11,19H,2,6-9H2,1H3
InChIKeyMBLILDAQCPHVNT-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.85
Rot. Bonds5

About 3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 47034419) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID47034419
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCCc1cccc2c(-c3csc(CCN4CCOC4=O)n3)c[nH]c12
InChIInChI=1S/C18H19N3O2S/c1-2-12-4-3-5-13-14(10-19-17(12)13)15-11-24-16(20-15)6-7-21-8-9-23-18(21)22/h3-5,10-11,19H,2,6-9H2,1H3
InChIKeyMBLILDAQCPHVNT-UHFFFAOYSA-N
XLogP3.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one (CID 47034419) is 3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one is CCc1cccc2c(-c3csc(CCN4CCOC4=O)n3)c[nH]c12.
What is the InChIKey of 3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is MBLILDAQCPHVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-12-4-3-5-13-14(10-19-17(12)13)15-11-24-16(20-15)6-7-21-8-9-23-18(21)22/h3-5,10-11,19H,2,6-9H2,1H3.
What are the key properties of 3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 341.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 47034419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).