1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol

C15H20FN3O3 — CID 110929749

IUPAC1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCCc1noc(CN(C)CC(O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H20FN3O3/c1-3-14-17-15(22-18-14)9-19(2)8-12(20)10-21-13-6-4-11(16)5-7-13/h4-7,12,20H,3,8-10H2,1-2H3
InChIKeyIXXSWPIGSNBUEN-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.64
Rot. Bonds8

About 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 110929749) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
PubChem CID110929749
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCCc1noc(CN(C)CC(O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H20FN3O3/c1-3-14-17-15(22-18-14)9-19(2)8-12(20)10-21-13-6-4-11(16)5-7-13/h4-7,12,20H,3,8-10H2,1-2H3
InChIKeyIXXSWPIGSNBUEN-UHFFFAOYSA-N
XLogP1.64
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-{[3-(Methoxymethyl)pyrrolidin-1-yl]methyl}-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 16189968
1-{[3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(2-fluorophenoxy)methyl]piperidine
CID 16188752
2-(4-Fluorophenoxy)-1-{3-[(3-methyl-1,2,4-oxadiazol-5-YL)methoxy]piperidin-1-YL}ethan-1-one
CID 87053221
1-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methylmethanamine
CID 45198574
2-(2-fluorophenoxy)-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 49670660
2-(2-fluorophenoxy)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 52227779
2-(4-fluorophenoxy)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 52600910
{5-[1-[2-(4-Fluorophenoxy)ethyl]tetrahydro-2(2H)-pyridinyl]-1,2,4-oxadiazol-3-YL}methyl methyl ether
CID 53191887
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
CID 71928486
1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 71928504
N-[2-(3-fluorophenoxy)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 72149499
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 72149556

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol (CID 110929749) is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol is CCc1noc(CN(C)CC(O)COc2ccc(F)cc2)n1.
What is the InChIKey of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is IXXSWPIGSNBUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c1-3-14-17-15(22-18-14)9-19(2)8-12(20)10-21-13-6-4-11(16)5-7-13/h4-7,12,20H,3,8-10H2,1-2H3.
What are the key properties of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 309.34 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 110929749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).