(4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

C12H13FN2O4 — CID 11065432

IUPAC(4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCOc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1F
InChIInChI=1S/C12H13FN2O4/c1-2-18-10-5-7(3-4-8(10)13)12-14-9(6-19-12)11(16)15-17/h3-5,9,17H,2,6H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyMEWMECOTKZWTEZ-SECBINFHSA-N
MW268.24 g/mol
LogP0.88
Rot. Bonds4

About (4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

(4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 11065432) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is (4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID11065432
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name(4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCOc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1F
InChIInChI=1S/C12H13FN2O4/c1-2-18-10-5-7(3-4-8(10)13)12-14-9(6-19-12)11(16)15-17/h3-5,9,17H,2,6H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyMEWMECOTKZWTEZ-SECBINFHSA-N
XLogP0.88
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 (4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 11065432) is (4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is CCOc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1F.
What is the InChIKey of (4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is MEWMECOTKZWTEZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-2-18-10-5-7(3-4-8(10)13)12-14-9(6-19-12)11(16)15-17/h3-5,9,17H,2,6H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 268.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3-ethoxy-4-fluorophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11065432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).