2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol

C15H20FN3O2 — CID 111102002

IUPAC2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol
SMILESCc1ccc(-c2noc(CCCN(C)CCO)n2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-11-5-6-12(10-13(11)16)15-17-14(21-18-15)4-3-7-19(2)8-9-20/h5-6,10,20H,3-4,7-9H2,1-2H3
InChIKeyZSRMYJWNJKFIDA-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.04
Rot. Bonds7

About 2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol

2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol (PubChem CID 111102002) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol
PubChem CID111102002
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol
SMILESCc1ccc(-c2noc(CCCN(C)CCO)n2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-11-5-6-12(10-13(11)16)15-17-14(21-18-15)4-3-7-19(2)8-9-20/h5-6,10,20H,3-4,7-9H2,1-2H3
InChIKeyZSRMYJWNJKFIDA-UHFFFAOYSA-N
XLogP2.04
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol 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

1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol
CID 111336146
2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
CID 111423085
N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine
CID 56569879
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 55925508
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 61273245
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349162
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345348
N-[3-(N-ethylanilino)propyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55924101
N-(3-aminopropyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406192
3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol
CID 95353156
N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 120648092
N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 56549190

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol?
The IUPAC name of 2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol (CID 111102002) is 2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol.
What is the SMILES notation for 2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol?
The canonical SMILES for 2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol is Cc1ccc(-c2noc(CCCN(C)CCO)n2)cc1F.
What is the InChIKey of 2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol?
The InChIKey is ZSRMYJWNJKFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-11-5-6-12(10-13(11)16)15-17-14(21-18-15)4-3-7-19(2)8-9-20/h5-6,10,20H,3-4,7-9H2,1-2H3.
What are the key properties of 2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol?
2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol has a molecular weight of 293.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol is sourced from PubChem (CID 111102002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).