5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide

C9H10BrNO4 — CID 130700415

IUPAC5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
SMILESO=C(NC1COCC1O)c1ccc(Br)o1
InChIInChI=1S/C9H10BrNO4/c10-8-2-1-7(15-8)9(13)11-5-3-14-4-6(5)12/h1-2,5-6,12H,3-4H2,(H,11,13)
InChIKeyHVBSVRLOKMMKDV-UHFFFAOYSA-N
MW276.09 g/mol
LogP0.53
Rot. Bonds2

About 5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide

5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide (PubChem CID 130700415) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
PubChem CID130700415
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Name5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
SMILESO=C(NC1COCC1O)c1ccc(Br)o1
InChIInChI=1S/C9H10BrNO4/c10-8-2-1-7(15-8)9(13)11-5-3-14-4-6(5)12/h1-2,5-6,12H,3-4H2,(H,11,13)
InChIKeyHVBSVRLOKMMKDV-UHFFFAOYSA-N
XLogP0.53
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
CID 93452199
5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]furan-2-carboxamide
CID 126938757
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
CID 106367301
5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide
CID 131142474
5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide
CID 97180803
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide
CID 79879003
5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
CID 103966929
5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312742
4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66223779

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide (CID 130700415) is 5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide is O=C(NC1COCC1O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide?
The InChIKey is HVBSVRLOKMMKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4/c10-8-2-1-7(15-8)9(13)11-5-3-14-4-6(5)12/h1-2,5-6,12H,3-4H2,(H,11,13).
What are the key properties of 5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide?
5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide has a molecular weight of 276.09 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 130700415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).