N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C29H30FN3O — CID 143881706

IUPACN-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(C2=NC(c3ccc4c(c3)CCCC4NC3CCC3)NO2)ccc1-c1ccccc1F
InChIInChI=1S/C29H30FN3O/c1-18-16-21(13-14-23(18)25-9-2-3-10-26(25)30)29-32-28(33-34-29)20-12-15-24-19(17-20)6-4-11-27(24)31-22-7-5-8-22/h2-3,9-10,12-17,22,27-28,31,33H,4-8,11H2,1H3
InChIKeyOIRMDXUPLHSMSG-UHFFFAOYSA-N
MW455.58 g/mol
LogP6.30
Rot. Bonds5

About N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 143881706) has the molecular formula C29H30FN3O and a molecular weight of 455.58 g/mol. Its IUPAC name is N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID143881706
Molecular FormulaC29H30FN3O
Molecular Weight455.58 g/mol
Exact Mass455.24
IUPAC NameN-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(C2=NC(c3ccc4c(c3)CCCC4NC3CCC3)NO2)ccc1-c1ccccc1F
InChIInChI=1S/C29H30FN3O/c1-18-16-21(13-14-23(18)25-9-2-3-10-26(25)30)29-32-28(33-34-29)20-12-15-24-19(17-20)6-4-11-27(24)31-22-7-5-8-22/h2-3,9-10,12-17,22,27-28,31,33H,4-8,11H2,1H3
InChIKeyOIRMDXUPLHSMSG-UHFFFAOYSA-N
XLogP6.30
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

5-[4-Phenyl-3-(trifluoromethyl)phenyl]-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-2,3-dihydro-1,2,4-oxadiazole
CID 143909936
amino N-[(4-methylphenyl)methyl]-4-phenyl-3-(trifluoromethyl)benzenecarboximidate;pyrrolidine
CID 143910321

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 143881706) is N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc(C2=NC(c3ccc4c(c3)CCCC4NC3CCC3)NO2)ccc1-c1ccccc1F.
What is the InChIKey of N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OIRMDXUPLHSMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O/c1-18-16-21(13-14-23(18)25-9-2-3-10-26(25)30)29-32-28(33-34-29)20-12-15-24-19(17-20)6-4-11-27(24)31-22-7-5-8-22/h2-3,9-10,12-17,22,27-28,31,33H,4-8,11H2,1H3.
What are the key properties of N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 455.58 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-[5-[4-(2-fluorophenyl)-3-methylphenyl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 143881706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).