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

C17H22FN3O2 — CID 111462245

IUPAC2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol
SMILESCCCc1nc(CN(CC(O)c2ccc(F)cc2)C2CC2)no1
InChIInChI=1S/C17H22FN3O2/c1-2-3-17-19-16(20-23-17)11-21(14-8-9-14)10-15(22)12-4-6-13(18)7-5-12/h4-7,14-15,22H,2-3,8-11H2,1H3
InChIKeyARMSSLZYAOXAMQ-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.86
Rot. Bonds8

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

2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol (PubChem CID 111462245) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol
PubChem CID111462245
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol
SMILESCCCc1nc(CN(CC(O)c2ccc(F)cc2)C2CC2)no1
InChIInChI=1S/C17H22FN3O2/c1-2-3-17-19-16(20-23-17)11-21(14-8-9-14)10-15(22)12-4-6-13(18)7-5-12/h4-7,14-15,22H,2-3,8-11H2,1H3
InChIKeyARMSSLZYAOXAMQ-UHFFFAOYSA-N
XLogP2.86
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol (CID 111462245) is 2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol is CCCc1nc(CN(CC(O)c2ccc(F)cc2)C2CC2)no1.
What is the InChIKey of 2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is ARMSSLZYAOXAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-2-3-17-19-16(20-23-17)11-21(14-8-9-14)10-15(22)12-4-6-13(18)7-5-12/h4-7,14-15,22H,2-3,8-11H2,1H3.
What are the key properties of 2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol?
2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 319.38 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 111462245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).