N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C15H14FN5O4 — CID 54175848

IUPACN-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-n3cc(C=O)nn3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H14FN5O4/c1-9(23)17-5-12-7-20(15(24)25-12)11-2-3-14(13(16)4-11)21-6-10(8-22)18-19-21/h2-4,6,8,12H,5,7H2,1H3,(H,17,23)
InChIKeyOYHRFPCSCUKHFQ-UHFFFAOYSA-N
MW347.31 g/mol
LogP0.68
Rot. Bonds5

About N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 54175848) has the molecular formula C15H14FN5O4 and a molecular weight of 347.31 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID54175848
Molecular FormulaC15H14FN5O4
Molecular Weight347.31 g/mol
Exact Mass347.10
IUPAC NameN-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-n3cc(C=O)nn3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H14FN5O4/c1-9(23)17-5-12-7-20(15(24)25-12)11-2-3-14(13(16)4-11)21-6-10(8-22)18-19-21/h2-4,6,8,12H,5,7H2,1H3,(H,17,23)
InChIKeyOYHRFPCSCUKHFQ-UHFFFAOYSA-N
XLogP0.68
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[3-fluoro-4-[3-fluoro-4-(4-formyltriazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 76560990
N-[[3-[3-fluoro-4-[4-[(3-methyl-1,2,4-triazol-4-yl)methyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69220459
N-[[(5S)-3-[3-fluoro-4-[4-[(3-methyl-1,2,4-triazol-4-yl)methyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25120888
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
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-[3-fluoro-4-(4-phenylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90168312
N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10337481
N-[[3-[3-fluoro-4-(2-formyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18700323
N-[[(5S)-3-[4-(3-ethylidene-4-oxopyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 158313314
N-[[(5S)-3-[4-[3-(difluoromethylidene)azetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70196493

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 54175848) is N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-n3cc(C=O)nn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OYHRFPCSCUKHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O4/c1-9(23)17-5-12-7-20(15(24)25-12)11-2-3-14(13(16)4-11)21-6-10(8-22)18-19-21/h2-4,6,8,12H,5,7H2,1H3,(H,17,23).
What are the key properties of N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 347.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 54175848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).