N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C14H9BrN2O2S — CID 3337766

IUPACN-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H9BrN2O2S/c15-9-3-5-10(6-4-9)16-14(18)11-8-12(19-17-11)13-2-1-7-20-13/h1-8H,(H,16,18)
InChIKeyLWAJJHQMOOVUIT-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.42
Rot. Bonds3

About N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3337766) has the molecular formula C14H9BrN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3337766
Molecular FormulaC14H9BrN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.96
IUPAC NameN-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H9BrN2O2S/c15-9-3-5-10(6-4-9)16-14(18)11-8-12(19-17-11)13-2-1-7-20-13/h1-8H,(H,16,18)
InChIKeyLWAJJHQMOOVUIT-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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Related Compounds

N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022345
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 135573197
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55609816
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 56557476
N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022321
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337765
N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122300931

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3337766) is N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LWAJJHQMOOVUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2S/c15-9-3-5-10(6-4-9)16-14(18)11-8-12(19-17-11)13-2-1-7-20-13/h1-8H,(H,16,18).
What are the key properties of N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-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 N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3337766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).