methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate

C25H25F3N2O4 — CID 69171870

IUPACmethyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ccc(OCCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C25H25F3N2O4/c1-32-24(31)22-3-2-13-30(22)15-17-4-10-21(11-5-17)33-14-12-20-16-34-23(29-20)18-6-8-19(9-7-18)25(26,27)28/h4-11,16,22H,2-3,12-15H2,1H3
InChIKeyMNLHWWBOGRVAHD-UHFFFAOYSA-N
MW474.48 g/mol
LogP5.12
Rot. Bonds8

About methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate

methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate (PubChem CID 69171870) has the molecular formula C25H25F3N2O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate
PubChem CID69171870
Molecular FormulaC25H25F3N2O4
Molecular Weight474.48 g/mol
Exact Mass474.18
IUPAC Namemethyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ccc(OCCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C25H25F3N2O4/c1-32-24(31)22-3-2-13-30(22)15-17-4-10-21(11-5-17)33-14-12-20-16-34-23(29-20)18-6-8-19(9-7-18)25(26,27)28/h4-11,16,22H,2-3,12-15H2,1H3
InChIKeyMNLHWWBOGRVAHD-UHFFFAOYSA-N
XLogP5.12
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

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2-((4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)(benzyl)amino)acetic acid
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CID 10311116
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(S)-2-(2,5-Dimethyl-pyrrol-1-yl)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
CID 44336264
2-[5-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate (CID 69171870) is methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1ccc(OCCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is MNLHWWBOGRVAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O4/c1-32-24(31)22-3-2-13-30(22)15-17-4-10-21(11-5-17)33-14-12-20-16-34-23(29-20)18-6-8-19(9-7-18)25(26,27)28/h4-11,16,22H,2-3,12-15H2,1H3.
What are the key properties of methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 474.48 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 69171870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).