5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide

C9H10BrNO4 — CID 130697664

IUPAC5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1O)c1coc(Br)c1
InChIInChI=1S/C9H10BrNO4/c10-8-1-5(2-15-8)9(13)11-6-3-14-4-7(6)12/h1-2,6-7,12H,3-4H2,(H,11,13)/t6-,7-/m1/s1
InChIKeyXUBUDKFCGZSDKK-RNFRBKRXSA-N
MW276.09 g/mol
LogP0.53
Rot. Bonds2

About 5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide

5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide (PubChem CID 130697664) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is 5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide
PubChem CID130697664
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Name5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1O)c1coc(Br)c1
InChIInChI=1S/C9H10BrNO4/c10-8-1-5(2-15-8)9(13)11-6-3-14-4-7(6)12/h1-2,6-7,12H,3-4H2,(H,11,13)/t6-,7-/m1/s1
InChIKeyXUBUDKFCGZSDKK-RNFRBKRXSA-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

5-bromo-N-(oxolan-3-yl)furan-3-carboxamide
CID 130882956
5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 130703611
5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide
CID 130748381
N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide
CID 141205463
5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
CID 130700415
5-bromo-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119425749
4-[(3-bromobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223965
5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide
CID 120943152
N'-acetyl-5-bromofuran-3-carbohydrazide
CID 130748449
5-bromofuran-3-carboxamide
CID 10821494
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide (CID 130697664) is 5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide is O=C(N[C@@H]1COC[C@H]1O)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide?
The InChIKey is XUBUDKFCGZSDKK-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H10BrNO4/c10-8-1-5(2-15-8)9(13)11-6-3-14-4-7(6)12/h1-2,6-7,12H,3-4H2,(H,11,13)/t6-,7-/m1/s1.
What are the key properties of 5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide?
5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-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-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide is sourced from PubChem (CID 130697664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).