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

C15H14FIN4O3 — CID 10503437

IUPACN-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(I)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H14FIN4O3/c1-9(22)18-6-12-8-20(15(23)24-12)11-2-3-14(13(16)4-11)21-7-10(17)5-19-21/h2-5,7,12H,6,8H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyABFQNUGIUOCRCB-LBPRGKRZSA-N
MW444.20 g/mol
LogP2.08
Rot. Bonds4

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

N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10503437) has the molecular formula C15H14FIN4O3 and a molecular weight of 444.20 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10503437
Molecular FormulaC15H14FIN4O3
Molecular Weight444.20 g/mol
Exact Mass444.01
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(I)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H14FIN4O3/c1-9(22)18-6-12-8-20(15(23)24-12)11-2-3-14(13(16)4-11)21-7-10(17)5-19-21/h2-5,7,12H,6,8H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyABFQNUGIUOCRCB-LBPRGKRZSA-N
XLogP2.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10503437) is N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cc(I)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ABFQNUGIUOCRCB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14FIN4O3/c1-9(22)18-6-12-8-20(15(23)24-12)11-2-3-14(13(16)4-11)21-7-10(17)5-19-21/h2-5,7,12H,6,8H2,1H3,(H,18,22)/t12-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 444.20 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10503437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).