methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate

C15H12F3NO4 — CID 66906029

IUPACmethyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2OC(F)(F)F)noc1C1CC1
InChIInChI=1S/C15H12F3NO4/c1-21-14(20)11-12(19-23-13(11)8-6-7-8)9-4-2-3-5-10(9)22-15(16,17)18/h2-5,8H,6-7H2,1H3
InChIKeyINMVEWNAYCVPAI-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.90
Rot. Bonds4

About methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate

methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate (PubChem CID 66906029) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate
PubChem CID66906029
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Namemethyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2OC(F)(F)F)noc1C1CC1
InChIInChI=1S/C15H12F3NO4/c1-21-14(20)11-12(19-23-13(11)8-6-7-8)9-4-2-3-5-10(9)22-15(16,17)18/h2-5,8H,6-7H2,1H3
InChIKeyINMVEWNAYCVPAI-UHFFFAOYSA-N
XLogP3.90
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate (CID 66906029) is methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2ccccc2OC(F)(F)F)noc1C1CC1.
What is the InChIKey of methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
The InChIKey is INMVEWNAYCVPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-21-14(20)11-12(19-23-13(11)8-6-7-8)9-4-2-3-5-10(9)22-15(16,17)18/h2-5,8H,6-7H2,1H3.
What are the key properties of methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate has a molecular weight of 327.26 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 66906029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).