3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide

C14H9BrN2O2S — CID 61216626

IUPAC3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1sccc1Br
InChIInChI=1S/C14H9BrN2O2S/c15-11-5-6-20-13(11)14(18)17-10-3-1-9(2-4-10)12-7-16-8-19-12/h1-8H,(H,17,18)
InChIKeyXUQDAQFATMRREB-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.42
Rot. Bonds3

About 3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide

3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide (PubChem CID 61216626) has the molecular formula C14H9BrN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide
PubChem CID61216626
Molecular FormulaC14H9BrN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.96
IUPAC Name3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1sccc1Br
InChIInChI=1S/C14H9BrN2O2S/c15-11-5-6-20-13(11)14(18)17-10-3-1-9(2-4-10)12-7-16-8-19-12/h1-8H,(H,17,18)
InChIKeyXUQDAQFATMRREB-UHFFFAOYSA-N
XLogP4.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide (CID 61216626) is 3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2cnco2)cc1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is XUQDAQFATMRREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2S/c15-11-5-6-20-13(11)14(18)17-10-3-1-9(2-4-10)12-7-16-8-19-12/h1-8H,(H,17,18).
What are the key properties of 3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide?
3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 349.21 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 61216626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).