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

C21H19FN4O5 — CID 25050036

IUPACN-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ccc(-c4cc(C(C)=O)on4)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H19FN4O5/c1-12(27)20-8-18(24-31-20)14-5-6-25(10-14)19-4-3-15(7-17(19)22)26-11-16(30-21(26)29)9-23-13(2)28/h3-8,10,16H,9,11H2,1-2H3,(H,23,28)/t16-/m0/s1
InChIKeyHYQQZAIOUPJKKF-INIZCTEOSA-N
MW426.40 g/mol
LogP2.94
Rot. Bonds6

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

N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 25050036) has the molecular formula C21H19FN4O5 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID25050036
Molecular FormulaC21H19FN4O5
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ccc(-c4cc(C(C)=O)on4)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H19FN4O5/c1-12(27)20-8-18(24-31-20)14-5-6-25(10-14)19-4-3-15(7-17(19)22)26-11-16(30-21(26)29)9-23-13(2)28/h3-8,10,16H,9,11H2,1-2H3,(H,23,28)/t16-/m0/s1
InChIKeyHYQQZAIOUPJKKF-INIZCTEOSA-N
XLogP2.94
TPSA106.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[3-[(E)-N'-hydroxycarbamimidoyl]pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25050343
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[4-(4-cyanoimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10497540
N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21255482
N-[[(5S)-3-[3-fluoro-4-[3-[(E)-methoxyiminomethyl]pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10714429
N-[[(5S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54069801
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22087057
5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide
CID 15541044
N-[[3-[3-fluoro-4-(2-formyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18700323

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 25050036) is N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(-c4cc(C(C)=O)on4)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is HYQQZAIOUPJKKF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19FN4O5/c1-12(27)20-8-18(24-31-20)14-5-6-25(10-14)19-4-3-15(7-17(19)22)26-11-16(30-21(26)29)9-23-13(2)28/h3-8,10,16H,9,11H2,1-2H3,(H,23,28)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 426.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[3-(5-acetyl-1,2-oxazol-3-yl)pyrrol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 25050036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).