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

C14H8BrFN2O2S — CID 17022345

IUPACN-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H8BrFN2O2S/c15-8-3-4-10(9(16)6-8)17-14(19)11-7-12(20-18-11)13-2-1-5-21-13/h1-7H,(H,17,19)
InChIKeySRYWVXNNYQAJJE-UHFFFAOYSA-N
MW367.20 g/mol
LogP4.56
Rot. Bonds3

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

N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17022345) has the molecular formula C14H8BrFN2O2S and a molecular weight of 367.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17022345
Molecular FormulaC14H8BrFN2O2S
Molecular Weight367.20 g/mol
Exact Mass365.95
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H8BrFN2O2S/c15-8-3-4-10(9(16)6-8)17-14(19)11-7-12(20-18-11)13-2-1-5-21-13/h1-7H,(H,17,19)
InChIKeySRYWVXNNYQAJJE-UHFFFAOYSA-N
XLogP4.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337765
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71805068
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73168690
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867627
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55711740

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 17022345) is N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(Br)cc1F)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is SRYWVXNNYQAJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2S/c15-8-3-4-10(9(16)6-8)17-14(19)11-7-12(20-18-11)13-2-1-5-21-13/h1-7H,(H,17,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 367.20 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17022345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).