2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol

C14H17F2N3O2 — CID 107485272

IUPAC2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
SMILESCc1cccc(-c2nc(CN(CCO)CC(F)F)no2)c1
InChIInChI=1S/C14H17F2N3O2/c1-10-3-2-4-11(7-10)14-17-13(18-21-14)9-19(5-6-20)8-12(15)16/h2-4,7,12,20H,5-6,8-9H2,1H3
InChIKeyWDUGQTWAPARDIE-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.10
Rot. Bonds7

About 2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol (PubChem CID 107485272) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
PubChem CID107485272
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
SMILESCc1cccc(-c2nc(CN(CCO)CC(F)F)no2)c1
InChIInChI=1S/C14H17F2N3O2/c1-10-3-2-4-11(7-10)14-17-13(18-21-14)9-19(5-6-20)8-12(15)16/h2-4,7,12,20H,5-6,8-9H2,1H3
InChIKeyWDUGQTWAPARDIE-UHFFFAOYSA-N
XLogP2.10
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 102677089
2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
CID 107485496
2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 115613587
N-methyl-3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079264
3-methyl-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butan-2-amine
CID 42691823
3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 4691489
3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115666486
N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133730
2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 110932771
3-(4,4-dimethylpentyl)-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 59395695
N',N'-diethyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635435
2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 62020296

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol (CID 107485272) is 2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol is Cc1cccc(-c2nc(CN(CCO)CC(F)F)no2)c1.
What is the InChIKey of 2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The InChIKey is WDUGQTWAPARDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-10-3-2-4-11(7-10)14-17-13(18-21-14)9-19(5-6-20)8-12(15)16/h2-4,7,12,20H,5-6,8-9H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol has a molecular weight of 297.31 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 107485272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).