N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C18H13Br2FN2O2 — CID 16591581

IUPACN-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C18H13Br2FN2O2/c19-11-5-6-15(13(20)9-11)23-17(24)7-8-18-22-10-16(25-18)12-3-1-2-4-14(12)21/h1-6,9-10H,7-8H2,(H,23,24)
InChIKeyZLYRJZUDRWLMNG-UHFFFAOYSA-N
MW468.12 g/mol
LogP5.58
Rot. Bonds5

About N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16591581) has the molecular formula C18H13Br2FN2O2 and a molecular weight of 468.12 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16591581
Molecular FormulaC18H13Br2FN2O2
Molecular Weight468.12 g/mol
Exact Mass465.93
IUPAC NameN-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C18H13Br2FN2O2/c19-11-5-6-15(13(20)9-11)23-17(24)7-8-18-22-10-16(25-18)12-3-1-2-4-14(12)21/h1-6,9-10H,7-8H2,(H,23,24)
InChIKeyZLYRJZUDRWLMNG-UHFFFAOYSA-N
XLogP5.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.12
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
N-(2,4-dibromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16591578
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 18138235
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46538866
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16597484
4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide
CID 38955686
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 24608720
N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059317
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide
CID 16600080
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
CID 16590817

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16591581) is N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is ZLYRJZUDRWLMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2FN2O2/c19-11-5-6-15(13(20)9-11)23-17(24)7-8-18-22-10-16(25-18)12-3-1-2-4-14(12)21/h1-6,9-10H,7-8H2,(H,23,24).
What are the key properties of N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 468.12 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16591581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).