3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide

C15H13BrN2O3S — CID 110476727

IUPAC3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
SMILESO=C(NCC1CN(c2cccs2)C(=O)O1)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O3S/c16-11-4-1-3-10(7-11)14(19)17-8-12-9-18(15(20)21-12)13-5-2-6-22-13/h1-7,12H,8-9H2,(H,17,19)
InChIKeyPFSYOWKJDZYLTB-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.27
Rot. Bonds4

About 3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide

3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide (PubChem CID 110476727) has the molecular formula C15H13BrN2O3S and a molecular weight of 381.25 g/mol. Its IUPAC name is 3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
PubChem CID110476727
Molecular FormulaC15H13BrN2O3S
Molecular Weight381.25 g/mol
Exact Mass379.98
IUPAC Name3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
SMILESO=C(NCC1CN(c2cccs2)C(=O)O1)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O3S/c16-11-4-1-3-10(7-11)14(19)17-8-12-9-18(15(20)21-12)13-5-2-6-22-13/h1-7,12H,8-9H2,(H,17,19)
InChIKeyPFSYOWKJDZYLTB-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 112532614
N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]oxolane-2-carboxamide
CID 84581229
3-bromo-N-(oxiran-2-ylmethyl)benzamide
CID 102548436
3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440
3-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920742
3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 112532639
3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 112532629
N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110328384
N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
CID 40926357
3,4-dimethyl-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327775
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one
CID 124582742

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide (CID 110476727) is 3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide is O=C(NCC1CN(c2cccs2)C(=O)O1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide?
The InChIKey is PFSYOWKJDZYLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S/c16-11-4-1-3-10(7-11)14(19)17-8-12-9-18(15(20)21-12)13-5-2-6-22-13/h1-7,12H,8-9H2,(H,17,19).
What are the key properties of 3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide?
3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide has a molecular weight of 381.25 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide is sourced from PubChem (CID 110476727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).