2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide

C22H14BrFN2O2 — CID 100510992

IUPAC2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C22H14BrFN2O2/c23-15-7-5-6-14(12-15)20-13-25-22(28-20)17-9-2-1-8-16(17)21(27)26-19-11-4-3-10-18(19)24/h1-13H,(H,26,27)
InChIKeyVEEAEYHMTXKPKW-UHFFFAOYSA-N
MW437.27 g/mol
LogP6.16
Rot. Bonds4

About 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide

2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide (PubChem CID 100510992) has the molecular formula C22H14BrFN2O2 and a molecular weight of 437.27 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide
PubChem CID100510992
Molecular FormulaC22H14BrFN2O2
Molecular Weight437.27 g/mol
Exact Mass436.02
IUPAC Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C22H14BrFN2O2/c23-15-7-5-6-14(12-15)20-13-25-22(28-20)17-9-2-1-8-16(17)21(27)26-19-11-4-3-10-18(19)24/h1-13H,(H,26,27)
InChIKeyVEEAEYHMTXKPKW-UHFFFAOYSA-N
XLogP6.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.27
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide
CID 100511182
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100510592
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
CID 133159870
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-fluorophenyl)benzamide
CID 100509139
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100510696
N-(2-fluoro-4-methylphenyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 55554036
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133159873
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)benzamide
CID 100500293
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 50775533
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide?
The IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide (CID 100510992) is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide is O=C(Nc1ccccc1F)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide?
The InChIKey is VEEAEYHMTXKPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrFN2O2/c23-15-7-5-6-14(12-15)20-13-25-22(28-20)17-9-2-1-8-16(17)21(27)26-19-11-4-3-10-18(19)24/h1-13H,(H,26,27).
What are the key properties of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide?
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide has a molecular weight of 437.27 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 100510992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).