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

C10H9BrN2O3 — CID 47398777

IUPAC5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(Br)o2)no1
InChIInChI=1S/C10H9BrN2O3/c1-6-4-7(13-16-6)5-12-10(14)8-2-3-9(11)15-8/h2-4H,5H2,1H3,(H,12,14)
InChIKeyLSIXSORPFBGLDZ-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.27
Rot. Bonds3

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

5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 47398777) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
PubChem CID47398777
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(Br)o2)no1
InChIInChI=1S/C10H9BrN2O3/c1-6-4-7(13-16-6)5-12-10(14)8-2-3-9(11)15-8/h2-4H,5H2,1H3,(H,12,14)
InChIKeyLSIXSORPFBGLDZ-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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Related Compounds

3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
6-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 66464919
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79722571
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 30176535
5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 110746432
5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 72718310
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925
5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 47399039
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide (CID 47398777) is 5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide is Cc1cc(CNC(=O)c2ccc(Br)o2)no1.
What is the InChIKey of 5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is LSIXSORPFBGLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c1-6-4-7(13-16-6)5-12-10(14)8-2-3-9(11)15-8/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of 5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-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 5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 47398777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).