1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide

C17H18FN5O4 — CID 10523491

IUPAC1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1
InChIInChI=1S/C17H18FN5O4/c1-10(24)20-7-13-9-22(17(26)27-13)12-3-4-15(14(18)5-12)23-8-11(6-21-23)16(25)19-2/h3-6,8,13H,7,9H2,1-2H3,(H,19,25)(H,20,24)/t13-/m0/s1
InChIKeyHGTJEBMFJHAWCI-ZDUSSCGKSA-N
MW375.36 g/mol
LogP0.83
Rot. Bonds5

About 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide

1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide (PubChem CID 10523491) has the molecular formula C17H18FN5O4 and a molecular weight of 375.36 g/mol. Its IUPAC name is 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide
PubChem CID10523491
Molecular FormulaC17H18FN5O4
Molecular Weight375.36 g/mol
Exact Mass375.13
IUPAC Name1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1
InChIInChI=1S/C17H18FN5O4/c1-10(24)20-7-13-9-22(17(26)27-13)12-3-4-15(14(18)5-12)23-8-11(6-21-23)16(25)19-2/h3-6,8,13H,7,9H2,1-2H3,(H,19,25)(H,20,24)/t13-/m0/s1
InChIKeyHGTJEBMFJHAWCI-ZDUSSCGKSA-N
XLogP0.83
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide (CID 10523491) is 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide is CNC(=O)c1cnn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1.
What is the InChIKey of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide?
The InChIKey is HGTJEBMFJHAWCI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FN5O4/c1-10(24)20-7-13-9-22(17(26)27-13)12-3-4-15(14(18)5-12)23-8-11(6-21-23)16(25)19-2/h3-6,8,13H,7,9H2,1-2H3,(H,19,25)(H,20,24)/t13-/m0/s1.
What are the key properties of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide?
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide has a molecular weight of 375.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 10523491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).