1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine

C20H19ClFN3O — CID 86892554

IUPAC1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESCc1ccc(-c2noc(CNC3(c4ccc(Cl)cc4)CCC3)n2)cc1F
InChIInChI=1S/C20H19ClFN3O/c1-13-3-4-14(11-17(13)22)19-24-18(26-25-19)12-23-20(9-2-10-20)15-5-7-16(21)8-6-15/h3-8,11,23H,2,9-10,12H2,1H3
InChIKeyZGCJRHFETJGCIE-UHFFFAOYSA-N
MW371.84 g/mol
LogP5.01
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine

1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (PubChem CID 86892554) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
PubChem CID86892554
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESCc1ccc(-c2noc(CNC3(c4ccc(Cl)cc4)CCC3)n2)cc1F
InChIInChI=1S/C20H19ClFN3O/c1-13-3-4-14(11-17(13)22)19-24-18(26-25-19)12-23-20(9-2-10-20)15-5-7-16(21)8-6-15/h3-8,11,23H,2,9-10,12H2,1H3
InChIKeyZGCJRHFETJGCIE-UHFFFAOYSA-N
XLogP5.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.84
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-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

1-(1,3-benzodioxol-5-yl)-N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
CID 166198897
N-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 63094288
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 61273245
3-(3-fluoro-4-methylphenyl)-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-1,2,4-oxadiazole
CID 51333661
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345348
[1-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81161823
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331338
3-(3-fluoro-4-methylphenyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62689952
N-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55241131
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349162
3-(3-fluoro-4-methylphenyl)-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole
CID 51339767
3-(3-fluoro-4-methylphenyl)-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 51081883

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (CID 86892554) is 1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is Cc1ccc(-c2noc(CNC3(c4ccc(Cl)cc4)CCC3)n2)cc1F.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The InChIKey is ZGCJRHFETJGCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-13-3-4-14(11-17(13)22)19-24-18(26-25-19)12-23-20(9-2-10-20)15-5-7-16(21)8-6-15/h3-8,11,23H,2,9-10,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine has a molecular weight of 371.84 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 86892554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).