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

C14H15F3N2O — CID 115061824

IUPAC2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1cccc(C2COC(C3CCNC3)=N2)c1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)11-3-1-2-9(6-11)12-8-20-13(19-12)10-4-5-18-7-10/h1-3,6,10,12,18H,4-5,7-8H2
InChIKeyMLFOJQBRKGCDDB-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.78
Rot. Bonds2

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

2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 115061824) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID115061824
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1cccc(C2COC(C3CCNC3)=N2)c1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)11-3-1-2-9(6-11)12-8-20-13(19-12)10-4-5-18-7-10/h1-3,6,10,12,18H,4-5,7-8H2
InChIKeyMLFOJQBRKGCDDB-UHFFFAOYSA-N
XLogP2.78
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
3-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine
CID 71250619
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline
CID 117103696
(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194422
2-[3-(trifluoromethyl)phenyl]-1,4-oxazepane
CID 43498386
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
CID 84667112
5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 114716457
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine
CID 22115245
2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine
CID 115065495

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 115061824) is 2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1cccc(C2COC(C3CCNC3)=N2)c1.
What is the InChIKey of 2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is MLFOJQBRKGCDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)11-3-1-2-9(6-11)12-8-20-13(19-12)10-4-5-18-7-10/h1-3,6,10,12,18H,4-5,7-8H2.
What are the key properties of 2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 284.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).