2-bromo-1,3-oxazole-5-carboxamide

C4H3BrN2O2 — CID 121231880

IUPAC2-bromo-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(Br)o1
InChIInChI=1S/C4H3BrN2O2/c5-4-7-1-2(9-4)3(6)8/h1H,(H2,6,8)
InChIKeyFYCIWZZLFVDUIQ-UHFFFAOYSA-N
MW190.98 g/mol
LogP0.54
Rot. Bonds1

About 2-bromo-1,3-oxazole-5-carboxamide

2-bromo-1,3-oxazole-5-carboxamide (PubChem CID 121231880) has the molecular formula C4H3BrN2O2 and a molecular weight of 190.98 g/mol. Its IUPAC name is 2-bromo-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-1,3-oxazole-5-carboxamide
PubChem CID121231880
Molecular FormulaC4H3BrN2O2
Molecular Weight190.98 g/mol
Exact Mass189.94
IUPAC Name2-bromo-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(Br)o1
InChIInChI=1S/C4H3BrN2O2/c5-4-7-1-2(9-4)3(6)8/h1H,(H2,6,8)
InChIKeyFYCIWZZLFVDUIQ-UHFFFAOYSA-N
XLogP0.54
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.98
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Oxazolecarboxaldehyde
CID 11829372
1,3-Oxazole-5-carboxamide
CID 22318809
1,3-Oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 90040422
(5-Carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate
CID 90040425
2-(Trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 91132062
2-(Difluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330037
2-(Fluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330366
N-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 154073475
2-(2,2,2-Trifluoroethyl)-1,3-oxazole-5-carboxamide
CID 176266476
N-(2-bromo-2,2-difluoroethyl)-1,3-oxazole-5-carboxamide
CID 130616438
N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide
CID 130626728
N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide
CID 130666663

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-bromo-1,3-oxazole-5-carboxamide (CID 121231880) is 2-bromo-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-bromo-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-bromo-1,3-oxazole-5-carboxamide is NC(=O)c1cnc(Br)o1.
What is the InChIKey of 2-bromo-1,3-oxazole-5-carboxamide?
The InChIKey is FYCIWZZLFVDUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2O2/c5-4-7-1-2(9-4)3(6)8/h1H,(H2,6,8).
What are the key properties of 2-bromo-1,3-oxazole-5-carboxamide?
2-bromo-1,3-oxazole-5-carboxamide has a molecular weight of 190.98 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 121231880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).