N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide

C17H21FN4O5 — CID 155327141

IUPACN-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]4OC(=O)N[C@@H]4C3)c(F)c2)C(O)O1
InChIInChI=1S/C17H21FN4O5/c1-9(23)19-5-11-6-22(17(25)26-11)10-2-3-14(12(18)4-10)21-7-13-15(8-21)27-16(24)20-13/h2-4,11,13,15,17,25H,5-8H2,1H3,(H,19,23)(H,20,24)/t11-,13+,15-,17?/m0/s1
InChIKeyCADDCHZJFZYOFA-CRUXPUNASA-N
MW380.38 g/mol
LogP-0.26
Rot. Bonds4

About N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 155327141) has the molecular formula C17H21FN4O5 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID155327141
Molecular FormulaC17H21FN4O5
Molecular Weight380.38 g/mol
Exact Mass380.15
IUPAC NameN-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]4OC(=O)N[C@@H]4C3)c(F)c2)C(O)O1
InChIInChI=1S/C17H21FN4O5/c1-9(23)19-5-11-6-22(17(25)26-11)10-2-3-14(12(18)4-10)21-7-13-15(8-21)27-16(24)20-13/h2-4,11,13,15,17,25H,5-8H2,1H3,(H,19,23)(H,20,24)/t11-,13+,15-,17?/m0/s1
InChIKeyCADDCHZJFZYOFA-CRUXPUNASA-N
XLogP-0.26
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

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CID 18391862
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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-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide (CID 155327141) is N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]4OC(=O)N[C@@H]4C3)c(F)c2)C(O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is CADDCHZJFZYOFA-CRUXPUNASA-N. The full InChI is InChI=1S/C17H21FN4O5/c1-9(23)19-5-11-6-22(17(25)26-11)10-2-3-14(12(18)4-10)21-7-13-15(8-21)27-16(24)20-13/h2-4,11,13,15,17,25H,5-8H2,1H3,(H,19,23)(H,20,24)/t11-,13+,15-,17?/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 380.38 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 155327141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).