N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide

C22H25F3N6O2 — CID 134612039

IUPACN-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cncn1C1CCN(c2ccc(-c3nnc(C(F)(F)F)o3)cc2)CC1
InChIInChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)
InChIKeyODBHCWVVBPDCFA-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.32
Rot. Bonds4

About N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide

N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide (PubChem CID 134612039) has the molecular formula C22H25F3N6O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide
PubChem CID134612039
Molecular FormulaC22H25F3N6O2
Molecular Weight462.48 g/mol
Exact Mass462.20
IUPAC NameN-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cncn1C1CCN(c2ccc(-c3nnc(C(F)(F)F)o3)cc2)CC1
InChIInChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)
InChIKeyODBHCWVVBPDCFA-UHFFFAOYSA-N
XLogP4.32
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide 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-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide (CID 134612039) is N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide is CC(C)(C)NC(=O)c1cncn1C1CCN(c2ccc(-c3nnc(C(F)(F)F)o3)cc2)CC1.
What is the InChIKey of N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide?
The InChIKey is ODBHCWVVBPDCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32).
What are the key properties of N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide?
N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 134612039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).