5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide

C11H13BrN2O4 — CID 110743138

IUPAC5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide
SMILESO=C(NCCCN1CCOC1=O)c1ccc(Br)o1
InChIInChI=1S/C11H13BrN2O4/c12-9-3-2-8(18-9)10(15)13-4-1-5-14-6-7-17-11(14)16/h2-3H,1,4-7H2,(H,13,15)
InChIKeyNCURABUTTIJXIO-UHFFFAOYSA-N
MW317.14 g/mol
LogP1.61
Rot. Bonds5

About 5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide

5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide (PubChem CID 110743138) has the molecular formula C11H13BrN2O4 and a molecular weight of 317.14 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide
PubChem CID110743138
Molecular FormulaC11H13BrN2O4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide
SMILESO=C(NCCCN1CCOC1=O)c1ccc(Br)o1
InChIInChI=1S/C11H13BrN2O4/c12-9-3-2-8(18-9)10(15)13-4-1-5-14-6-7-17-11(14)16/h2-3H,1,4-7H2,(H,13,15)
InChIKeyNCURABUTTIJXIO-UHFFFAOYSA-N
XLogP1.61
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719243
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141
3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719239
2-(3-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]acetamide
CID 110719290
5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 110707245
5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
CID 110742704
5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide
CID 9472859
5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide
CID 90551368
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 4772785
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide (CID 110743138) is 5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide is O=C(NCCCN1CCOC1=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide?
The InChIKey is NCURABUTTIJXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O4/c12-9-3-2-8(18-9)10(15)13-4-1-5-14-6-7-17-11(14)16/h2-3H,1,4-7H2,(H,13,15).
What are the key properties of 5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide?
5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide has a molecular weight of 317.14 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 110743138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).