ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate

C16H17FN4O4 — CID 143435103

IUPACethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(N3CC(CN)OC3=O)cc2F)c1
InChIInChI=1S/C16H17FN4O4/c1-2-24-15(22)10-7-19-21(8-10)14-4-3-11(5-13(14)17)20-9-12(6-18)25-16(20)23/h3-5,7-8,12H,2,6,9,18H2,1H3
InChIKeyUEFHWCSEBVTPAQ-UHFFFAOYSA-N
MW348.33 g/mol
LogP1.47
Rot. Bonds5

About ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate

ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate (PubChem CID 143435103) has the molecular formula C16H17FN4O4 and a molecular weight of 348.33 g/mol. Its IUPAC name is ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate
PubChem CID143435103
Molecular FormulaC16H17FN4O4
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Nameethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(N3CC(CN)OC3=O)cc2F)c1
InChIInChI=1S/C16H17FN4O4/c1-2-24-15(22)10-7-19-21(8-10)14-4-3-11(5-13(14)17)20-9-12(6-18)25-16(20)23/h3-5,7-8,12H,2,6,9,18H2,1H3
InChIKeyUEFHWCSEBVTPAQ-UHFFFAOYSA-N
XLogP1.47
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] 4-methylbenzoate
CID 90728962
5-(aminomethyl)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 22943658
ethyl 2-[3-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]pyrazol-4-yl]-1,2,4-oxadiazol-5-yl]acetate
CID 145494476
5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117
(5S)-5-(aminomethyl)-3-[4-(benzotriazol-2-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 11544412
N-[[(5S)-3-[4-[4-(4-chlorophenyl)pyrazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71477789
5-(aminomethyl)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 69406859
3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76556203
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
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate (CID 143435103) is ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(N3CC(CN)OC3=O)cc2F)c1.
What is the InChIKey of ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate?
The InChIKey is UEFHWCSEBVTPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O4/c1-2-24-15(22)10-7-19-21(8-10)14-4-3-11(5-13(14)17)20-9-12(6-18)25-16(20)23/h3-5,7-8,12H,2,6,9,18H2,1H3.
What are the key properties of ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate?
ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate has a molecular weight of 348.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 143435103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).