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

C15H17F3N2O5 — CID 54592302

IUPAC(4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCCc1cc(C2=N[C@@H](C(=O)NO)CO2)cc(OC(F)(F)F)c1OC
InChIInChI=1S/C15H17F3N2O5/c1-3-4-8-5-9(14-19-10(7-24-14)13(21)20-22)6-11(12(8)23-2)25-15(16,17)18/h5-6,10,22H,3-4,7H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyNSPXSMWKFKIIBA-SNVBAGLBSA-N
MW362.30 g/mol
LogP2.20
Rot. Bonds6

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

(4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 54592302) has the molecular formula C15H17F3N2O5 and a molecular weight of 362.30 g/mol. Its IUPAC name is (4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID54592302
Molecular FormulaC15H17F3N2O5
Molecular Weight362.30 g/mol
Exact Mass362.11
IUPAC Name(4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCCc1cc(C2=N[C@@H](C(=O)NO)CO2)cc(OC(F)(F)F)c1OC
InChIInChI=1S/C15H17F3N2O5/c1-3-4-8-5-9(14-19-10(7-24-14)13(21)20-22)6-11(12(8)23-2)25-15(16,17)18/h5-6,10,22H,3-4,7H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyNSPXSMWKFKIIBA-SNVBAGLBSA-N
XLogP2.20
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 54592302) is (4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide is CCCc1cc(C2=N[C@@H](C(=O)NO)CO2)cc(OC(F)(F)F)c1OC.
What is the InChIKey of (4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is NSPXSMWKFKIIBA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17F3N2O5/c1-3-4-8-5-9(14-19-10(7-24-14)13(21)20-22)6-11(12(8)23-2)25-15(16,17)18/h5-6,10,22H,3-4,7H2,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 362.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-hydroxy-2-[4-methoxy-3-propyl-5-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 54592302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).