N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide

C15H16N2O3 — CID 90551244

IUPACN-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide
SMILESCCC(=O)NCC#Cc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C15H16N2O3/c1-2-14(18)16-9-3-4-12-5-7-13(8-6-12)17-10-11-20-15(17)19/h5-8H,2,9-11H2,1H3,(H,16,18)
InChIKeyCKHWHSMNNVWDBL-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.52
Rot. Bonds3

About N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide

N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide (PubChem CID 90551244) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide
PubChem CID90551244
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide
SMILESCCC(=O)NCC#Cc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C15H16N2O3/c1-2-14(18)16-9-3-4-12-5-7-13(8-6-12)17-10-11-20-15(17)19/h5-8H,2,9-11H2,1H3,(H,16,18)
InChIKeyCKHWHSMNNVWDBL-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide
CID 90551360
1-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3-phenylurea
CID 90554045
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
2,6-difluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551302
3-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551299
5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide
CID 90551368
2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide
CID 90551196
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-1,3-benzodioxole-5-carboxamide
CID 90551288
1-(2-ethoxyphenyl)-3-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]urea
CID 90554067
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90551435
1-(4-fluorophenyl)-5-oxo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]pyrrolidine-3-carboxamide
CID 90551382

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide?
The IUPAC name of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide (CID 90551244) is N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide.
What is the SMILES notation for N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide?
The canonical SMILES for N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide is CCC(=O)NCC#Cc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide?
The InChIKey is CKHWHSMNNVWDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-14(18)16-9-3-4-12-5-7-13(8-6-12)17-10-11-20-15(17)19/h5-8H,2,9-11H2,1H3,(H,16,18).
What are the key properties of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide?
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide has a molecular weight of 272.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide is sourced from PubChem (CID 90551244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).