5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide

C17H13BrN2O4 — CID 90551368

IUPAC5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide
SMILESO=C(NCC#Cc1ccc(N2CCOC2=O)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H13BrN2O4/c18-15-8-7-14(24-15)16(21)19-9-1-2-12-3-5-13(6-4-12)20-10-11-23-17(20)22/h3-8H,9-11H2,(H,19,21)
InChIKeyFKEQLVYSCXCMSX-UHFFFAOYSA-N
MW389.21 g/mol
LogP2.78
Rot. Bonds3

About 5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide

5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide (PubChem CID 90551368) has the molecular formula C17H13BrN2O4 and a molecular weight of 389.21 g/mol. Its IUPAC name is 5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide
PubChem CID90551368
Molecular FormulaC17H13BrN2O4
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC Name5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide
SMILESO=C(NCC#Cc1ccc(N2CCOC2=O)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H13BrN2O4/c18-15-8-7-14(24-15)16(21)19-9-1-2-12-3-5-13(6-4-12)20-10-11-23-17(20)22/h3-8H,9-11H2,(H,19,21)
InChIKeyFKEQLVYSCXCMSX-UHFFFAOYSA-N
XLogP2.78
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551299
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide
CID 90551244
2,6-difluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551302
2-bromo-5-methoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551222
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-1,3-benzodioxole-5-carboxamide
CID 90551288
1-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3-phenylurea
CID 90554045
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90551435
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide
CID 90551360
1-benzhydryl-3-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]urea
CID 90554079
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide
CID 90551449
1-(4-fluorophenyl)-5-oxo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]pyrrolidine-3-carboxamide
CID 90551382
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3H-benzimidazole-5-carboxamide
CID 90551217

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide (CID 90551368) is 5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide is O=C(NCC#Cc1ccc(N2CCOC2=O)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide?
The InChIKey is FKEQLVYSCXCMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O4/c18-15-8-7-14(24-15)16(21)19-9-1-2-12-3-5-13(6-4-12)20-10-11-23-17(20)22/h3-8H,9-11H2,(H,19,21).
What are the key properties of 5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide?
5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide has a molecular weight of 389.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide is sourced from PubChem (CID 90551368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).