5-bromo-2-methyl-1,3-oxazole-4-carboxamide

C5H5BrN2O2 — CID 59587437

IUPAC5-bromo-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(N)=O)c(Br)o1
InChIInChI=1S/C5H5BrN2O2/c1-2-8-3(5(7)9)4(6)10-2/h1H3,(H2,7,9)
InChIKeyRVUWPAUQXAYTEW-UHFFFAOYSA-N
MW205.01 g/mol
LogP0.84
Rot. Bonds1

About 5-bromo-2-methyl-1,3-oxazole-4-carboxamide

5-bromo-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 59587437) has the molecular formula C5H5BrN2O2 and a molecular weight of 205.01 g/mol. Its IUPAC name is 5-bromo-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID59587437
Molecular FormulaC5H5BrN2O2
Molecular Weight205.01 g/mol
Exact Mass203.95
IUPAC Name5-bromo-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(N)=O)c(Br)o1
InChIInChI=1S/C5H5BrN2O2/c1-2-8-3(5(7)9)4(6)10-2/h1H3,(H2,7,9)
InChIKeyRVUWPAUQXAYTEW-UHFFFAOYSA-N
XLogP0.84
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.01
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-bromo-2-methyl-1,3-oxazole-4-carboxamide (CID 59587437) is 5-bromo-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-bromo-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-bromo-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(N)=O)c(Br)o1.
What is the InChIKey of 5-bromo-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is RVUWPAUQXAYTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2/c1-2-8-3(5(7)9)4(6)10-2/h1H3,(H2,7,9).
What are the key properties of 5-bromo-2-methyl-1,3-oxazole-4-carboxamide?
5-bromo-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 205.01 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59587437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).