5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine

C20H19FN6O — CID 29021727

IUPAC5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
SMILESFc1ccc(Cc2noc(-c3ccc(NCCCn4ccnc4)nc3)n2)cc1
InChIInChI=1S/C20H19FN6O/c21-17-5-2-15(3-6-17)12-19-25-20(28-26-19)16-4-7-18(24-13-16)23-8-1-10-27-11-9-22-14-27/h2-7,9,11,13-14H,1,8,10,12H2,(H,23,24)
InChIKeyAHABPESEGIMFSZ-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.56
Rot. Bonds8

About 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine

5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine (PubChem CID 29021727) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
PubChem CID29021727
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
SMILESFc1ccc(Cc2noc(-c3ccc(NCCCn4ccnc4)nc3)n2)cc1
InChIInChI=1S/C20H19FN6O/c21-17-5-2-15(3-6-17)12-19-25-20(28-26-19)16-4-7-18(24-13-16)23-8-1-10-27-11-9-22-14-27/h2-7,9,11,13-14H,1,8,10,12H2,(H,23,24)
InChIKeyAHABPESEGIMFSZ-UHFFFAOYSA-N
XLogP3.56
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine 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-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733
6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
CID 28880579
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 53037257
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
CID 136525561
N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine
CID 154338498
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine
CID 18825534
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60632035
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine
CID 86305832

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine (CID 29021727) is 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine is Fc1ccc(Cc2noc(-c3ccc(NCCCn4ccnc4)nc3)n2)cc1.
What is the InChIKey of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
The InChIKey is AHABPESEGIMFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c21-17-5-2-15(3-6-17)12-19-25-20(28-26-19)16-4-7-18(24-13-16)23-8-1-10-27-11-9-22-14-27/h2-7,9,11,13-14H,1,8,10,12H2,(H,23,24).
What are the key properties of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine has a molecular weight of 378.41 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 29021727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).