3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one

C17H17N3O2S — CID 56873076

IUPAC3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCc1sc2ccccc2c1-c1nccn1CCN1CCOC1=O
InChIInChI=1S/C17H17N3O2S/c1-12-15(13-4-2-3-5-14(13)23-12)16-18-6-7-19(16)8-9-20-10-11-22-17(20)21/h2-7H,8-11H2,1H3
InChIKeyOXRIBJHBOSVUGD-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.53
Rot. Bonds4

About 3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 56873076) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID56873076
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCc1sc2ccccc2c1-c1nccn1CCN1CCOC1=O
InChIInChI=1S/C17H17N3O2S/c1-12-15(13-4-2-3-5-14(13)23-12)16-18-6-7-19(16)8-9-20-10-11-22-17(20)21/h2-7H,8-11H2,1H3
InChIKeyOXRIBJHBOSVUGD-UHFFFAOYSA-N
XLogP3.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 56873076) is 3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one is Cc1sc2ccccc2c1-c1nccn1CCN1CCOC1=O.
What is the InChIKey of 3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is OXRIBJHBOSVUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-15(13-4-2-3-5-14(13)23-12)16-18-6-7-19(16)8-9-20-10-11-22-17(20)21/h2-7H,8-11H2,1H3.
What are the key properties of 3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 327.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methyl-1-benzothiophen-3-yl)imidazol-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56873076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).