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

C15H18FN3O2 — CID 102676985

IUPAC2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
SMILESOCCN(Cc1nnc(-c2ccc(F)cc2)o1)C1CCC1
InChIInChI=1S/C15H18FN3O2/c16-12-6-4-11(5-7-12)15-18-17-14(21-15)10-19(8-9-20)13-2-1-3-13/h4-7,13,20H,1-3,8-10H2
InChIKeyUKDOMCCZPLBNNA-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.22
Rot. Bonds6

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

2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol (PubChem CID 102676985) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
PubChem CID102676985
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
SMILESOCCN(Cc1nnc(-c2ccc(F)cc2)o1)C1CCC1
InChIInChI=1S/C15H18FN3O2/c16-12-6-4-11(5-7-12)15-18-17-14(21-15)10-19(8-9-20)13-2-1-3-13/h4-7,13,20H,1-3,8-10H2
InChIKeyUKDOMCCZPLBNNA-UHFFFAOYSA-N
XLogP2.22
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 3959338
1-Ethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 8071224
2-Phenyl-5-(piperidylmethyl)-1,3,4-oxadiazole, chloride
CID 18775228
1-(4-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 17392931
(r)-2-amino-N-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)propanamide
CID 132279660
(2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 134139607
2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 134148049
(2R)-2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 134154194
2-((4-Methylpiperazin-1-yl)methyl)-5-(p-tolyl)-1,3,4-oxadiazole
CID 8029557
1-Ethyl-4-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine
CID 8030976
1-Methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 8073747
Methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate
CID 8741633

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol (CID 102676985) is 2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol is OCCN(Cc1nnc(-c2ccc(F)cc2)o1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol?
The InChIKey is UKDOMCCZPLBNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-12-6-4-11(5-7-12)15-18-17-14(21-15)10-19(8-9-20)13-2-1-3-13/h4-7,13,20H,1-3,8-10H2.
What are the key properties of 2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol?
2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol has a molecular weight of 291.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 102676985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).