2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

C14H15FN2O4 — CID 58342718

IUPAC2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESC=CCc1cc(C2=NC(C(=O)NO)CO2)cc(F)c1OC
InChIInChI=1S/C14H15FN2O4/c1-3-4-8-5-9(6-10(15)12(8)20-2)14-16-11(7-21-14)13(18)17-19/h3,5-6,11,19H,1,4,7H2,2H3,(H,17,18)
InChIKeySCXONGNMBIUGOQ-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.21
Rot. Bonds5

About 2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 58342718) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID58342718
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESC=CCc1cc(C2=NC(C(=O)NO)CO2)cc(F)c1OC
InChIInChI=1S/C14H15FN2O4/c1-3-4-8-5-9(6-10(15)12(8)20-2)14-16-11(7-21-14)13(18)17-19/h3,5-6,11,19H,1,4,7H2,2H3,(H,17,18)
InChIKeySCXONGNMBIUGOQ-UHFFFAOYSA-N
XLogP1.21
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 58342718) is 2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is C=CCc1cc(C2=NC(C(=O)NO)CO2)cc(F)c1OC.
What is the InChIKey of 2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is SCXONGNMBIUGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-3-4-8-5-9(6-10(15)12(8)20-2)14-16-11(7-21-14)13(18)17-19/h3,5-6,11,19H,1,4,7H2,2H3,(H,17,18).
What are the key properties of 2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58342718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).