2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C10H15F3N2O2 — CID 103856794

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nc(CN(CCO)CC(F)(F)F)oc1C
InChIInChI=1S/C10H15F3N2O2/c1-7-8(2)17-9(14-7)5-15(3-4-16)6-10(11,12)13/h16H,3-6H2,1-2H3
InChIKeyCFTWYSCVZFVRJU-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.65
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103856794) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103856794
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nc(CN(CCO)CC(F)(F)F)oc1C
InChIInChI=1S/C10H15F3N2O2/c1-7-8(2)17-9(14-7)5-15(3-4-16)6-10(11,12)13/h16H,3-6H2,1-2H3
InChIKeyCFTWYSCVZFVRJU-UHFFFAOYSA-N
XLogP1.65
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47360646
1-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 53594865
4-Methyl-2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 68235767
5-Methyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 68235770
2-Ethyl-4-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 91349681
2,5-Dimethyl-4-(trifluoromethyl)-1,3-oxazole;ethane
CID 142085256
2,4-Dimethyl-5-(trifluoromethyl)-1,3-oxazole;ethane
CID 144000826
2,4-Dimethyl-5-(trifluoromethyl)-1,3-oxazole;ethane
CID 144000891
2-Ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 163982387
2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
CID 170133718
1-[4-(Difluoromethyl)-5-methyl-1,3-oxazol-2-yl]ethanol
CID 170133729
2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylpropan-2-amine
CID 170144644

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103856794) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is Cc1nc(CN(CCO)CC(F)(F)F)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is CFTWYSCVZFVRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-7-8(2)17-9(14-7)5-15(3-4-16)6-10(11,12)13/h16H,3-6H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 252.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103856794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).