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

C19H17FN4O3 — CID 21309532

IUPACN-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ncc4ccccc43)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17FN4O3/c1-12(25)21-10-15-11-23(19(26)27-15)14-6-7-18(16(20)8-14)24-17-5-3-2-4-13(17)9-22-24/h2-9,15H,10-11H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyADNKDFXAWQGNBZ-HNNXBMFYSA-N
MW368.37 g/mol
LogP2.63
Rot. Bonds4

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

N-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 21309532) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID21309532
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ncc4ccccc43)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17FN4O3/c1-12(25)21-10-15-11-23(19(26)27-15)14-6-7-18(16(20)8-14)24-17-5-3-2-4-13(17)9-22-24/h2-9,15H,10-11H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyADNKDFXAWQGNBZ-HNNXBMFYSA-N
XLogP2.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 21309532) is N-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3ncc4ccccc43)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ADNKDFXAWQGNBZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-12(25)21-10-15-11-23(19(26)27-15)14-6-7-18(16(20)8-14)24-17-5-3-2-4-13(17)9-22-24/h2-9,15H,10-11H2,1H3,(H,21,25)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-(3-fluoro-4-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 368.37 g/mol, XLogP of 2.63, 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-indazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 21309532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).