N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H15FN4O3 — CID 21255482

IUPACN-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC#Cc1cn(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)cn1
InChIInChI=1S/C17H15FN4O3/c1-3-12-8-21(10-20-12)16-5-4-13(6-15(16)18)22-9-14(25-17(22)24)7-19-11(2)23/h1,4-6,8,10,14H,7,9H2,2H3,(H,19,23)
InChIKeyOAXSZXNRXRRJDD-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.45
Rot. Bonds4

About N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 21255482) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID21255482
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC NameN-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC#Cc1cn(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)cn1
InChIInChI=1S/C17H15FN4O3/c1-3-12-8-21(10-20-12)16-5-4-13(6-15(16)18)22-9-14(25-17(22)24)7-19-11(2)23/h1,4-6,8,10,14H,7,9H2,2H3,(H,19,23)
InChIKeyOAXSZXNRXRRJDD-UHFFFAOYSA-N
XLogP1.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[4-(4-cyanoimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10497540
N-[[3-[3-fluoro-4-[4-[(pyrimidin-2-ylamino)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18340258
N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-2-ylethenyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57235679
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18340252
1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide
CID 135682114
N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59924368
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide
CID 59924346
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[4-(4-cyanotriazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10641157
N-[[3-[3-fluoro-4-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18378813

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 21255482) is N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is C#Cc1cn(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)cn1.
What is the InChIKey of N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OAXSZXNRXRRJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-3-12-8-21(10-20-12)16-5-4-13(6-15(16)18)22-9-14(25-17(22)24)7-19-11(2)23/h1,4-6,8,10,14H,7,9H2,2H3,(H,19,23).
What are the key properties of N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 342.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 21255482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).