5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide

C10H12BrNO3 — CID 130703611

IUPAC5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide
SMILESCC1OCCC1NC(=O)c1coc(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-6-8(2-3-14-6)12-10(13)7-4-9(11)15-5-7/h4-6,8H,2-3H2,1H3,(H,12,13)
InChIKeyOIKXFOHLWKHHBJ-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.95
Rot. Bonds2

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

5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide (PubChem CID 130703611) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide
PubChem CID130703611
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide
SMILESCC1OCCC1NC(=O)c1coc(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-6-8(2-3-14-6)12-10(13)7-4-9(11)15-5-7/h4-6,8H,2-3H2,1H3,(H,12,13)
InChIKeyOIKXFOHLWKHHBJ-UHFFFAOYSA-N
XLogP1.95
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide
CID 130748381
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide
CID 130697664
5-bromo-N-(oxolan-3-yl)furan-3-carboxamide
CID 130882956
4-bromo-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 82729029
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide
CID 82731669
3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
CID 82737326
4-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82729229
4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
CID 82725520
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide (CID 130703611) is 5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide is CC1OCCC1NC(=O)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide?
The InChIKey is OIKXFOHLWKHHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-6-8(2-3-14-6)12-10(13)7-4-9(11)15-5-7/h4-6,8H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide?
5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide has a molecular weight of 274.11 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide is sourced from PubChem (CID 130703611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).