(4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

C18H14F4N2O4 — CID 54592303

IUPAC(4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2ccc(OCc3cccc(F)c3)c(C(F)(F)F)c2)=N1
InChIInChI=1S/C18H14F4N2O4/c19-12-3-1-2-10(6-12)8-27-15-5-4-11(7-13(15)18(20,21)22)17-23-14(9-28-17)16(25)24-26/h1-7,14,26H,8-9H2,(H,24,25)/t14-/m1/s1
InChIKeyUUOVEWMOBZUAHW-CQSZACIVSA-N
MW398.31 g/mol
LogP3.07
Rot. Bonds5

About (4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

(4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 54592303) has the molecular formula C18H14F4N2O4 and a molecular weight of 398.31 g/mol. Its IUPAC name is (4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID54592303
Molecular FormulaC18H14F4N2O4
Molecular Weight398.31 g/mol
Exact Mass398.09
IUPAC Name(4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2ccc(OCc3cccc(F)c3)c(C(F)(F)F)c2)=N1
InChIInChI=1S/C18H14F4N2O4/c19-12-3-1-2-10(6-12)8-27-15-5-4-11(7-13(15)18(20,21)22)17-23-14(9-28-17)16(25)24-26/h1-7,14,26H,8-9H2,(H,24,25)/t14-/m1/s1
InChIKeyUUOVEWMOBZUAHW-CQSZACIVSA-N
XLogP3.07
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 53.07
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-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 54592303) is (4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NO)[C@H]1COC(c2ccc(OCc3cccc(F)c3)c(C(F)(F)F)c2)=N1.
What is the InChIKey of (4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is UUOVEWMOBZUAHW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H14F4N2O4/c19-12-3-1-2-10(6-12)8-27-15-5-4-11(7-13(15)18(20,21)22)17-23-14(9-28-17)16(25)24-26/h1-7,14,26H,8-9H2,(H,24,25)/t14-/m1/s1.
What are the key properties of (4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 398.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 54592303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).