N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine

C22H26FN3O — CID 129199343

IUPACN-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine
SMILESCN1OC(c2ccc(-c3ccc(F)cc3)cc2)(C2CC2)N=C1NC(C)(C)C
InChIInChI=1S/C22H26FN3O/c1-21(2,3)24-20-25-22(18-11-12-18,27-26(20)4)17-9-5-15(6-10-17)16-7-13-19(23)14-8-16/h5-10,13-14,18H,11-12H2,1-4H3,(H,24,25)
InChIKeyAOSBDQRGWFITQQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.68
Rot. Bonds3

About N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine

N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine (PubChem CID 129199343) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine
PubChem CID129199343
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC NameN-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine
SMILESCN1OC(c2ccc(-c3ccc(F)cc3)cc2)(C2CC2)N=C1NC(C)(C)C
InChIInChI=1S/C22H26FN3O/c1-21(2,3)24-20-25-22(18-11-12-18,27-26(20)4)17-9-5-15(6-10-17)16-7-13-19(23)14-8-16/h5-10,13-14,18H,11-12H2,1-4H3,(H,24,25)
InChIKeyAOSBDQRGWFITQQ-UHFFFAOYSA-N
XLogP4.68
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine 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 N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine (CID 129199343) is N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine is CN1OC(c2ccc(-c3ccc(F)cc3)cc2)(C2CC2)N=C1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine?
The InChIKey is AOSBDQRGWFITQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-21(2,3)24-20-25-22(18-11-12-18,27-26(20)4)17-9-5-15(6-10-17)16-7-13-19(23)14-8-16/h5-10,13-14,18H,11-12H2,1-4H3,(H,24,25).
What are the key properties of N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine?
N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine has a molecular weight of 367.47 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 129199343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).