(1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine

C21H20FN5O — CID 97258561

IUPAC(1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
SMILESCc1nccn1-c1ccc([C@H](C)NCc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H20FN5O/c1-14(16-5-9-19(10-6-16)27-12-11-23-15(27)2)24-13-20-25-26-21(28-20)17-3-7-18(22)8-4-17/h3-12,14,24H,13H2,1-2H3/t14-/m0/s1
InChIKeyOTKVBJOGCYMMLR-AWEZNQCLSA-N
MW377.42 g/mol
LogP4.22
Rot. Bonds6

About (1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine

(1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine (PubChem CID 97258561) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is (1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
PubChem CID97258561
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name(1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
SMILESCc1nccn1-c1ccc([C@H](C)NCc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H20FN5O/c1-14(16-5-9-19(10-6-16)27-12-11-23-15(27)2)24-13-20-25-26-21(28-20)17-3-7-18(22)8-4-17/h3-12,14,24H,13H2,1-2H3/t14-/m0/s1
InChIKeyOTKVBJOGCYMMLR-AWEZNQCLSA-N
XLogP4.22
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine (CID 97258561) is (1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine is Cc1nccn1-c1ccc([C@H](C)NCc2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of (1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The InChIKey is OTKVBJOGCYMMLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-14(16-5-9-19(10-6-16)27-12-11-23-15(27)2)24-13-20-25-26-21(28-20)17-3-7-18(22)8-4-17/h3-12,14,24H,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
(1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine has a molecular weight of 377.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 97258561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).