[1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol

C16H17F3N2O2 — CID 109499658

IUPAC[1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)13-3-1-12(2-4-13)15-20-14(10-23-15)8-21-6-5-11(7-21)9-22/h1-4,10-11,22H,5-9H2
InChIKeyDURLYRRPOFVRDU-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.17
Rot. Bonds4

About [1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol

[1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 109499658) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is [1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID109499658
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name[1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)13-3-1-12(2-4-13)15-20-14(10-23-15)8-21-6-5-11(7-21)9-22/h1-4,10-11,22H,5-9H2
InChIKeyDURLYRRPOFVRDU-UHFFFAOYSA-N
XLogP3.17
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol (CID 109499658) is [1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol is OCC1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1.
What is the InChIKey of [1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is DURLYRRPOFVRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)13-3-1-12(2-4-13)15-20-14(10-23-15)8-21-6-5-11(7-21)9-22/h1-4,10-11,22H,5-9H2.
What are the key properties of [1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol?
[1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 326.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 109499658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).