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

C17H18FN5O4 — CID 10714490

IUPACN-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(NC(C)=O)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H18FN5O4/c1-10(24)19-7-14-9-22(17(26)27-14)13-3-4-16(15(18)5-13)23-8-12(6-20-23)21-11(2)25/h3-6,8,14H,7,9H2,1-2H3,(H,19,24)(H,21,25)/t14-/m0/s1
InChIKeyFDZUVCLEUXLHME-AWEZNQCLSA-N
MW375.36 g/mol
LogP1.43
Rot. Bonds5

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

N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10714490) has the molecular formula C17H18FN5O4 and a molecular weight of 375.36 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10714490
Molecular FormulaC17H18FN5O4
Molecular Weight375.36 g/mol
Exact Mass375.13
IUPAC NameN-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(NC(C)=O)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H18FN5O4/c1-10(24)19-7-14-9-22(17(26)27-14)13-3-4-16(15(18)5-13)23-8-12(6-20-23)21-11(2)25/h3-6,8,14H,7,9H2,1-2H3,(H,19,24)(H,21,25)/t14-/m0/s1
InChIKeyFDZUVCLEUXLHME-AWEZNQCLSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10714490) is N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cc(NC(C)=O)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is FDZUVCLEUXLHME-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18FN5O4/c1-10(24)19-7-14-9-22(17(26)27-14)13-3-4-16(15(18)5-13)23-8-12(6-20-23)21-11(2)25/h3-6,8,14H,7,9H2,1-2H3,(H,19,24)(H,21,25)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 375.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-(4-acetamidopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10714490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).