[(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C16H15F2NO5 — CID 7549356

IUPAC[(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F2NO5/c1-8-13(9(2)24-19-8)15(21)22-10(3)14(20)11-4-6-12(7-5-11)23-16(17)18/h4-7,10,16H,1-3H3/t10-/m0/s1
InChIKeyUFZJVNORMKBYSW-JTQLQIEISA-N
MW339.29 g/mol
LogP3.32
Rot. Bonds6

About [(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 7549356) has the molecular formula C16H15F2NO5 and a molecular weight of 339.29 g/mol. Its IUPAC name is [(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID7549356
Molecular FormulaC16H15F2NO5
Molecular Weight339.29 g/mol
Exact Mass339.09
IUPAC Name[(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F2NO5/c1-8-13(9(2)24-19-8)15(21)22-10(3)14(20)11-4-6-12(7-5-11)23-16(17)18/h4-7,10,16H,1-3H3/t10-/m0/s1
InChIKeyUFZJVNORMKBYSW-JTQLQIEISA-N
XLogP3.32
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

[1-(4-fluorophenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 42903866
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549699
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549665
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 42896932
[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7547612
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193714
[(2R)-1-amino-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 2612532
(1-amino-1-oxopropan-2-yl) 4-(difluoromethoxy)benzoate
CID 18076582
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507560
[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8954703
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7811254
(2R)-1-[4-(difluoromethoxy)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 8528155

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 7549356) is [(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is UFZJVNORMKBYSW-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15F2NO5/c1-8-13(9(2)24-19-8)15(21)22-10(3)14(20)11-4-6-12(7-5-11)23-16(17)18/h4-7,10,16H,1-3H3/t10-/m0/s1.
What are the key properties of [(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 339.29 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7549356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).