2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole

C15H17F3N2O — CID 115061332

IUPAC2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(CC2CN=C(C3CCNC3)O2)cc1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)12-3-1-10(2-4-12)7-13-9-20-14(21-13)11-5-6-19-8-11/h1-4,11,13,19H,5-9H2
InChIKeyPXUACWWPCLABDE-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.65
Rot. Bonds3

About 2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole

2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 115061332) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID115061332
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(CC2CN=C(C3CCNC3)O2)cc1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)12-3-1-10(2-4-12)7-13-9-20-14(21-13)11-5-6-19-8-11/h1-4,11,13,19H,5-9H2
InChIKeyPXUACWWPCLABDE-UHFFFAOYSA-N
XLogP2.65
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole (CID 115061332) is 2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccc(CC2CN=C(C3CCNC3)O2)cc1.
What is the InChIKey of 2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is PXUACWWPCLABDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c16-15(17,18)12-3-1-10(2-4-12)7-13-9-20-14(21-13)11-5-6-19-8-11/h1-4,11,13,19H,5-9H2.
What are the key properties of 2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole?
2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 298.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).