1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

C15H13BrFN3O3S — CID 71882258

IUPAC1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESO=C(NCc1sccc1Br)Nc1cc(N2CCOC2=O)ccc1F
InChIInChI=1S/C15H13BrFN3O3S/c16-10-3-6-24-13(10)8-18-14(21)19-12-7-9(1-2-11(12)17)20-4-5-23-15(20)22/h1-3,6-7H,4-5,8H2,(H2,18,19,21)
InChIKeyOZYLAQQGNWXXBE-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.93
Rot. Bonds4

About 1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (PubChem CID 71882258) has the molecular formula C15H13BrFN3O3S and a molecular weight of 414.26 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
PubChem CID71882258
Molecular FormulaC15H13BrFN3O3S
Molecular Weight414.26 g/mol
Exact Mass412.98
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESO=C(NCc1sccc1Br)Nc1cc(N2CCOC2=O)ccc1F
InChIInChI=1S/C15H13BrFN3O3S/c16-10-3-6-24-13(10)8-18-14(21)19-12-7-9(1-2-11(12)17)20-4-5-23-15(20)22/h1-3,6-7H,4-5,8H2,(H2,18,19,21)
InChIKeyOZYLAQQGNWXXBE-UHFFFAOYSA-N
XLogP3.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (CID 71882258) is 1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is O=C(NCc1sccc1Br)Nc1cc(N2CCOC2=O)ccc1F.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The InChIKey is OZYLAQQGNWXXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O3S/c16-10-3-6-24-13(10)8-18-14(21)19-12-7-9(1-2-11(12)17)20-4-5-23-15(20)22/h1-3,6-7H,4-5,8H2,(H2,18,19,21).
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea has a molecular weight of 414.26 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is sourced from PubChem (CID 71882258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).