(1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol

C12H14FN3O2 — CID 114006948

IUPAC(1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNCC[C@H](O)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C12H14FN3O2/c13-9-4-2-1-3-8(9)7-11-15-12(18-16-11)10(17)5-6-14/h1-4,10,17H,5-7,14H2/t10-/m0/s1
InChIKeyJYNQJCLJXHVMIK-JTQLQIEISA-N
MW251.26 g/mol
LogP1.18
Rot. Bonds5

About (1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol

(1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 114006948) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is (1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID114006948
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name(1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNCC[C@H](O)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C12H14FN3O2/c13-9-4-2-1-3-8(9)7-11-15-12(18-16-11)10(17)5-6-14/h1-4,10,17H,5-7,14H2/t10-/m0/s1
InChIKeyJYNQJCLJXHVMIK-JTQLQIEISA-N
XLogP1.18
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-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

3-amino-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837058
1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 62478080
(1S)-2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 114006968
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767692
(1S)-3-amino-1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837059
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072364
N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63562028
3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837190
2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 62956165
3-amino-1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837079
(1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107837041
3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836843

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of (1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 114006948) is (1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol is NCC[C@H](O)c1nc(Cc2ccccc2F)no1.
What is the InChIKey of (1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is JYNQJCLJXHVMIK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-9-4-2-1-3-8(9)7-11-15-12(18-16-11)10(17)5-6-14/h1-4,10,17H,5-7,14H2/t10-/m0/s1.
What are the key properties of (1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
(1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 251.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 114006948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).