5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine

C28H29F3N4O2 — CID 162659158

IUPAC5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(-c2ccc(OC)cc2)o1)C1CCC(c2ccnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C28H29F3N4O2/c1-3-24(33-27-35-34-26(37-27)19-8-11-21(36-2)12-9-19)18-6-4-17(5-7-18)22-14-15-32-25-13-10-20(16-23(22)25)28(29,30)31/h8-18,24H,3-7H2,1-2H3,(H,33,35)
InChIKeySUDVIJKGHSMHQM-UHFFFAOYSA-N
MW510.56 g/mol
LogP7.48
Rot. Bonds7

About 5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine

5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine (PubChem CID 162659158) has the molecular formula C28H29F3N4O2 and a molecular weight of 510.56 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine
PubChem CID162659158
Molecular FormulaC28H29F3N4O2
Molecular Weight510.56 g/mol
Exact Mass510.22
IUPAC Name5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(-c2ccc(OC)cc2)o1)C1CCC(c2ccnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C28H29F3N4O2/c1-3-24(33-27-35-34-26(37-27)19-8-11-21(36-2)12-9-19)18-6-4-17(5-7-18)22-14-15-32-25-13-10-20(16-23(22)25)28(29,30)31/h8-18,24H,3-7H2,1-2H3,(H,33,35)
InChIKeySUDVIJKGHSMHQM-UHFFFAOYSA-N
XLogP7.48
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.56
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-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 5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine (CID 162659158) is 5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine is CCC(Nc1nnc(-c2ccc(OC)cc2)o1)C1CCC(c2ccnc3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SUDVIJKGHSMHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O2/c1-3-24(33-27-35-34-26(37-27)19-8-11-21(36-2)12-9-19)18-6-4-17(5-7-18)22-14-15-32-25-13-10-20(16-23(22)25)28(29,30)31/h8-18,24H,3-7H2,1-2H3,(H,33,35).
What are the key properties of 5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine?
5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 510.56 g/mol, XLogP of 7.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162659158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).