2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide

C10H9BrN2O3 — CID 106898982

IUPAC2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide
SMILESCc1cnc(CNC(=O)c2ccoc2Br)o1
InChIInChI=1S/C10H9BrN2O3/c1-6-4-12-8(16-6)5-13-10(14)7-2-3-15-9(7)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyADHSFDFTXATBEA-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.27
Rot. Bonds3

About 2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide

2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide (PubChem CID 106898982) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide
PubChem CID106898982
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide
SMILESCc1cnc(CNC(=O)c2ccoc2Br)o1
InChIInChI=1S/C10H9BrN2O3/c1-6-4-12-8(16-6)5-13-10(14)7-2-3-15-9(7)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyADHSFDFTXATBEA-UHFFFAOYSA-N
XLogP2.27
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide (CID 106898982) is 2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide is Cc1cnc(CNC(=O)c2ccoc2Br)o1.
What is the InChIKey of 2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide?
The InChIKey is ADHSFDFTXATBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c1-6-4-12-8(16-6)5-13-10(14)7-2-3-15-9(7)11/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide?
2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide has a molecular weight of 285.10 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106898982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).