5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide

C8H8BrNO3 — CID 97180803

IUPAC5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@H]1CO1)c1ccc(Br)o1
InChIInChI=1S/C8H8BrNO3/c9-7-2-1-6(13-7)8(11)10-3-5-4-12-5/h1-2,5H,3-4H2,(H,10,11)/t5-/m0/s1
InChIKeyPWLQAWILANAKQW-YFKPBYRVSA-N
MW246.06 g/mol
LogP1.17
Rot. Bonds3

About 5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide

5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide (PubChem CID 97180803) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is 5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide
PubChem CID97180803
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@H]1CO1)c1ccc(Br)o1
InChIInChI=1S/C8H8BrNO3/c9-7-2-1-6(13-7)8(11)10-3-5-4-12-5/h1-2,5H,3-4H2,(H,10,11)/t5-/m0/s1
InChIKeyPWLQAWILANAKQW-YFKPBYRVSA-N
XLogP1.17
TPSA54.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
CID 103659452
5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
CID 103548570
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 2945325
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
3-bromo-N-(oxiran-2-ylmethyl)benzamide
CID 102548436
5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
CID 130700415
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide (CID 97180803) is 5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide is O=C(NC[C@H]1CO1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide?
The InChIKey is PWLQAWILANAKQW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H8BrNO3/c9-7-2-1-6(13-7)8(11)10-3-5-4-12-5/h1-2,5H,3-4H2,(H,10,11)/t5-/m0/s1.
What are the key properties of 5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide?
5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide has a molecular weight of 246.06 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 97180803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).