N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C28H27F3N6O3 — CID 66686464

IUPACN-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCN(C(=O)C1CCCCC1)c1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C28H27F3N6O3/c29-28(30,31)23-22(18-37(35-23)21-14-8-3-9-15-21)24(38)32-16-17-36(26(39)20-12-6-2-7-13-20)27-34-33-25(40-27)19-10-4-1-5-11-19/h1,3-5,8-11,14-15,18,20H,2,6-7,12-13,16-17H2,(H,32,38)
InChIKeyPXRAYHSQXXLUDW-UHFFFAOYSA-N
MW552.56 g/mol
LogP5.28
Rot. Bonds8

About N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 66686464) has the molecular formula C28H27F3N6O3 and a molecular weight of 552.56 g/mol. Its IUPAC name is N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID66686464
Molecular FormulaC28H27F3N6O3
Molecular Weight552.56 g/mol
Exact Mass552.21
IUPAC NameN-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCN(C(=O)C1CCCCC1)c1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C28H27F3N6O3/c29-28(30,31)23-22(18-37(35-23)21-14-8-3-9-15-21)24(38)32-16-17-36(26(39)20-12-6-2-7-13-20)27-34-33-25(40-27)19-10-4-1-5-11-19/h1,3-5,8-11,14-15,18,20H,2,6-7,12-13,16-17H2,(H,32,38)
InChIKeyPXRAYHSQXXLUDW-UHFFFAOYSA-N
XLogP5.28
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-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-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 66686464) is N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCCN(C(=O)C1CCCCC1)c1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is PXRAYHSQXXLUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O3/c29-28(30,31)23-22(18-37(35-23)21-14-8-3-9-15-21)24(38)32-16-17-36(26(39)20-12-6-2-7-13-20)27-34-33-25(40-27)19-10-4-1-5-11-19/h1,3-5,8-11,14-15,18,20H,2,6-7,12-13,16-17H2,(H,32,38).
What are the key properties of N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 552.56 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexanecarbonyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 66686464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).