3-(3-bromo-1,2-oxazol-5-yl)propanamide

C6H7BrN2O2 — CID 53216203

IUPAC3-(3-bromo-1,2-oxazol-5-yl)propanamide
SMILESNC(=O)CCc1cc(Br)no1
InChIInChI=1S/C6H7BrN2O2/c7-5-3-4(11-9-5)1-2-6(8)10/h3H,1-2H2,(H2,8,10)
InChIKeyGCVBGZNEHSVFDZ-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.86
Rot. Bonds3

About 3-(3-bromo-1,2-oxazol-5-yl)propanamide

3-(3-bromo-1,2-oxazol-5-yl)propanamide (PubChem CID 53216203) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 3-(3-bromo-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-bromo-1,2-oxazol-5-yl)propanamide
PubChem CID53216203
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name3-(3-bromo-1,2-oxazol-5-yl)propanamide
SMILESNC(=O)CCc1cc(Br)no1
InChIInChI=1S/C6H7BrN2O2/c7-5-3-4(11-9-5)1-2-6(8)10/h3H,1-2H2,(H2,8,10)
InChIKeyGCVBGZNEHSVFDZ-UHFFFAOYSA-N
XLogP0.86
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 3-(3-bromo-1,2-oxazol-5-yl)propanamide (CID 53216203) is 3-(3-bromo-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 3-(3-bromo-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 3-(3-bromo-1,2-oxazol-5-yl)propanamide is NC(=O)CCc1cc(Br)no1.
What is the InChIKey of 3-(3-bromo-1,2-oxazol-5-yl)propanamide?
The InChIKey is GCVBGZNEHSVFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c7-5-3-4(11-9-5)1-2-6(8)10/h3H,1-2H2,(H2,8,10).
What are the key properties of 3-(3-bromo-1,2-oxazol-5-yl)propanamide?
3-(3-bromo-1,2-oxazol-5-yl)propanamide has a molecular weight of 219.04 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 53216203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).