3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one

C18H21N3O2S — CID 99600302

IUPAC3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(-c2csc(N3CCCCCC3)n2)cc1
InChIInChI=1S/C18H21N3O2S/c22-18-21(11-12-23-18)15-7-5-14(6-8-15)16-13-24-17(19-16)20-9-3-1-2-4-10-20/h5-8,13H,1-4,9-12H2
InChIKeyVMJGMUQYACMNJF-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.15
Rot. Bonds3

About 3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one

3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 99600302) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID99600302
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(-c2csc(N3CCCCCC3)n2)cc1
InChIInChI=1S/C18H21N3O2S/c22-18-21(11-12-23-18)15-7-5-14(6-8-15)16-13-24-17(19-16)20-9-3-1-2-4-10-20/h5-8,13H,1-4,9-12H2
InChIKeyVMJGMUQYACMNJF-UHFFFAOYSA-N
XLogP4.15
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one 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 3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one (CID 99600302) is 3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(-c2csc(N3CCCCCC3)n2)cc1.
What is the InChIKey of 3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is VMJGMUQYACMNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-18-21(11-12-23-18)15-7-5-14(6-8-15)16-13-24-17(19-16)20-9-3-1-2-4-10-20/h5-8,13H,1-4,9-12H2.
What are the key properties of 3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 343.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 99600302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).