(4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

C11H11FN2O3 — CID 10889961

IUPAC(4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1F
InChIInChI=1S/C11H11FN2O3/c1-6-4-7(2-3-8(6)12)11-13-9(5-17-11)10(15)14-16/h2-4,9,16H,5H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyREJGWQXKFQPAHU-SECBINFHSA-N
MW238.22 g/mol
LogP0.78
Rot. Bonds2

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

(4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 10889961) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is (4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID10889961
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name(4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1F
InChIInChI=1S/C11H11FN2O3/c1-6-4-7(2-3-8(6)12)11-13-9(5-17-11)10(15)14-16/h2-4,9,16H,5H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyREJGWQXKFQPAHU-SECBINFHSA-N
XLogP0.78
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 10889961) is (4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is Cc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1F.
What is the InChIKey of (4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is REJGWQXKFQPAHU-SECBINFHSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-6-4-7(2-3-8(6)12)11-13-9(5-17-11)10(15)14-16/h2-4,9,16H,5H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 238.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-fluoro-3-methylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10889961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).