3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one

C20H18BrN3O5S — CID 143640438

IUPAC3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCc1nc(Br)sc1COc1ccc(C(CC(=O)N2CCOC2=O)c2ccon2)cc1
InChIInChI=1S/C20H18BrN3O5S/c1-12-17(30-19(21)22-12)11-28-14-4-2-13(3-5-14)15(16-6-8-29-23-16)10-18(25)24-7-9-27-20(24)26/h2-6,8,15H,7,9-11H2,1H3
InChIKeyUQNLMLYHBSFMKK-UHFFFAOYSA-N
MW492.35 g/mol
LogP4.28
Rot. Bonds7

About 3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one

3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 143640438) has the molecular formula C20H18BrN3O5S and a molecular weight of 492.35 g/mol. Its IUPAC name is 3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID143640438
Molecular FormulaC20H18BrN3O5S
Molecular Weight492.35 g/mol
Exact Mass491.02
IUPAC Name3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCc1nc(Br)sc1COc1ccc(C(CC(=O)N2CCOC2=O)c2ccon2)cc1
InChIInChI=1S/C20H18BrN3O5S/c1-12-17(30-19(21)22-12)11-28-14-4-2-13(3-5-14)15(16-6-8-29-23-16)10-18(25)24-7-9-27-20(24)26/h2-6,8,15H,7,9-11H2,1H3
InChIKeyUQNLMLYHBSFMKK-UHFFFAOYSA-N
XLogP4.28
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one (CID 143640438) is 3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one is Cc1nc(Br)sc1COc1ccc(C(CC(=O)N2CCOC2=O)c2ccon2)cc1.
What is the InChIKey of 3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is UQNLMLYHBSFMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O5S/c1-12-17(30-19(21)22-12)11-28-14-4-2-13(3-5-14)15(16-6-8-29-23-16)10-18(25)24-7-9-27-20(24)26/h2-6,8,15H,7,9-11H2,1H3.
What are the key properties of 3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one?
3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 492.35 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143640438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).