N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

C20H20FN3O — CID 86911631

IUPACN-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1cccc(-c2nnc(CN(Cc3ccc(F)cc3)C3CC3)o2)c1
InChIInChI=1S/C20H20FN3O/c1-14-3-2-4-16(11-14)20-23-22-19(25-20)13-24(18-9-10-18)12-15-5-7-17(21)8-6-15/h2-8,11,18H,9-10,12-13H2,1H3
InChIKeyAYBSHEYCUMVLRY-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.35
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 86911631) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID86911631
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1cccc(-c2nnc(CN(Cc3ccc(F)cc3)C3CC3)o2)c1
InChIInChI=1S/C20H20FN3O/c1-14-3-2-4-16(11-14)20-23-22-19(25-20)13-24(18-9-10-18)12-15-5-7-17(21)8-6-15/h2-8,11,18H,9-10,12-13H2,1H3
InChIKeyAYBSHEYCUMVLRY-UHFFFAOYSA-N
XLogP4.35
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine 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

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 38092404
N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 33195854
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 78825997
N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 78822942
methyl (2S)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate
CID 97007203
methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate
CID 97007204
1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 78824184
2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 102676985
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine
CID 60500388
2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8688135
N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
CID 122134073
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 86911631) is N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is Cc1cccc(-c2nnc(CN(Cc3ccc(F)cc3)C3CC3)o2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is AYBSHEYCUMVLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-3-2-4-16(11-14)20-23-22-19(25-20)13-24(18-9-10-18)12-15-5-7-17(21)8-6-15/h2-8,11,18H,9-10,12-13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 337.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 86911631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).