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

C20H23FN4O4 — CID 5273691

IUPACN-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccn(-c3ccc(N4CCOCC4)c(F)c3)c2)C(=O)O1
InChIInChI=1S/C20H23FN4O4/c1-14(26)22-11-17-13-25(20(27)29-17)16-4-5-24(12-16)15-2-3-19(18(21)10-15)23-6-8-28-9-7-23/h2-5,10,12,17H,6-9,11,13H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyONOIRRVLIDPLKT-KRWDZBQOSA-N
MW402.43 g/mol
LogP1.91
Rot. Bonds5

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

N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 5273691) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID5273691
Molecular FormulaC20H23FN4O4
Molecular Weight402.43 g/mol
Exact Mass402.17
IUPAC NameN-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccn(-c3ccc(N4CCOCC4)c(F)c3)c2)C(=O)O1
InChIInChI=1S/C20H23FN4O4/c1-14(26)22-11-17-13-25(20(27)29-17)16-4-5-24(12-16)15-2-3-19(18(21)10-15)23-6-8-28-9-7-23/h2-5,10,12,17H,6-9,11,13H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyONOIRRVLIDPLKT-KRWDZBQOSA-N
XLogP1.91
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 5273691) is N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccn(-c3ccc(N4CCOCC4)c(F)c3)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ONOIRRVLIDPLKT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN4O4/c1-14(26)22-11-17-13-25(20(27)29-17)16-4-5-24(12-16)15-2-3-19(18(21)10-15)23-6-8-28-9-7-23/h2-5,10,12,17H,6-9,11,13H2,1H3,(H,22,26)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 5273691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).