2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole

C13H19F3N2O — CID 164639100

IUPAC2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCCc1nc(C)c(CN2CC[C@H](CC(F)(F)F)C2)o1
InChIInChI=1S/C13H19F3N2O/c1-3-12-17-9(2)11(19-12)8-18-5-4-10(7-18)6-13(14,15)16/h10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyUPVAOWUYYZQHQO-SNVBAGLBSA-N
MW276.30 g/mol
LogP3.32
Rot. Bonds4

About 2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole

2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 164639100) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID164639100
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCCc1nc(C)c(CN2CC[C@H](CC(F)(F)F)C2)o1
InChIInChI=1S/C13H19F3N2O/c1-3-12-17-9(2)11(19-12)8-18-5-4-10(7-18)6-13(14,15)16/h10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyUPVAOWUYYZQHQO-SNVBAGLBSA-N
XLogP3.32
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole with MolForge

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Related Compounds

(2S)-2-[1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
CID 164633157
(3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120950962
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 81621110
N-methyl-1-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine
CID 84014574
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110714822
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine
CID 115407071
2-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 126793777
[4-(Difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine
CID 127017247
[2-Propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine
CID 130791915
N-methyl-1-[2-methyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine
CID 131098015
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 132303801
3,3-difluoro-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 137977250

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 164639100) is 2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is CCc1nc(C)c(CN2CC[C@H](CC(F)(F)F)C2)o1.
What is the InChIKey of 2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is UPVAOWUYYZQHQO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-3-12-17-9(2)11(19-12)8-18-5-4-10(7-18)6-13(14,15)16/h10H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 276.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 164639100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).