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

C16H22FN3O2 — CID 111462210

IUPAC1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol
SMILESCc1noc(CN(CC(C)C)CC(O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H22FN3O2/c1-11(2)8-20(10-16-18-12(3)19-22-16)9-15(21)13-4-6-14(17)7-5-13/h4-7,11,15,21H,8-10H2,1-3H3
InChIKeyHYUOYPRPQJUNBU-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.71
Rot. Bonds7

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

1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol (PubChem CID 111462210) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol
PubChem CID111462210
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol
SMILESCc1noc(CN(CC(C)C)CC(O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H22FN3O2/c1-11(2)8-20(10-16-18-12(3)19-22-16)9-15(21)13-4-6-14(17)7-5-13/h4-7,11,15,21H,8-10H2,1-3H3
InChIKeyHYUOYPRPQJUNBU-UHFFFAOYSA-N
XLogP2.71
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol with MolForge

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Related Compounds

2-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(4-fluorophenyl)ethanol
CID 111432053
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
CID 111462207
N-[(4-fluorophenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 86860846
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 110921864
1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol
CID 133411082
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide
CID 71968911
N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
CID 111462190
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080
1-(4-fluorophenyl)-2-trimethylsilylethanol
CID 118997274
1,1-bis(4-fluorophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanol
CID 171986887
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 61014998
5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 86804175

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol (CID 111462210) is 1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol is Cc1noc(CN(CC(C)C)CC(O)c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol?
The InChIKey is HYUOYPRPQJUNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-11(2)8-20(10-16-18-12(3)19-22-16)9-15(21)13-4-6-14(17)7-5-13/h4-7,11,15,21H,8-10H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol?
1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol has a molecular weight of 307.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol is sourced from PubChem (CID 111462210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).