[(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid

C14H15ClFN3O5 — CID 166694113

IUPAC[(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid
SMILESCCOc1c(C/C=N/NC(=O)O)cc(Cl)c(F)c1[C@@H]1CNC(=O)O1
InChIInChI=1S/C14H15ClFN3O5/c1-2-23-12-7(3-4-18-19-13(20)21)5-8(15)11(16)10(12)9-6-17-14(22)24-9/h4-5,9,19H,2-3,6H2,1H3,(H,17,22)(H,20,21)/b18-4+/t9-/m0/s1
InChIKeyVPAKVTQRFAMENX-MHKOXAFASA-N
MW359.74 g/mol
LogP2.45
Rot. Bonds6

About [(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid

[(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid (PubChem CID 166694113) has the molecular formula C14H15ClFN3O5 and a molecular weight of 359.74 g/mol. Its IUPAC name is [(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid.

Molecular Properties

Compound Name[(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid
PubChem CID166694113
Molecular FormulaC14H15ClFN3O5
Molecular Weight359.74 g/mol
Exact Mass359.07
IUPAC Name[(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid
SMILESCCOc1c(C/C=N/NC(=O)O)cc(Cl)c(F)c1[C@@H]1CNC(=O)O1
InChIInChI=1S/C14H15ClFN3O5/c1-2-23-12-7(3-4-18-19-13(20)21)5-8(15)11(16)10(12)9-6-17-14(22)24-9/h4-5,9,19H,2-3,6H2,1H3,(H,17,22)(H,20,21)/b18-4+/t9-/m0/s1
InChIKeyVPAKVTQRFAMENX-MHKOXAFASA-N
XLogP2.45
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid?
The IUPAC name of [(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid (CID 166694113) is [(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid.
What is the SMILES notation for [(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid?
The canonical SMILES for [(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid is CCOc1c(C/C=N/NC(=O)O)cc(Cl)c(F)c1[C@@H]1CNC(=O)O1.
What is the InChIKey of [(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid?
The InChIKey is VPAKVTQRFAMENX-MHKOXAFASA-N. The full InChI is InChI=1S/C14H15ClFN3O5/c1-2-23-12-7(3-4-18-19-13(20)21)5-8(15)11(16)10(12)9-6-17-14(22)24-9/h4-5,9,19H,2-3,6H2,1H3,(H,17,22)(H,20,21)/b18-4+/t9-/m0/s1.
What are the key properties of [(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid?
[(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid has a molecular weight of 359.74 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[5-chloro-2-ethoxy-4-fluoro-3-[(5R)-2-oxo-1,3-oxazolidin-5-yl]phenyl]ethylideneamino]carbamic acid is sourced from PubChem (CID 166694113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).