2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol

C17H15F3N4O3 — CID 139562072

IUPAC2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol
SMILESCc1nc(Nc2nnc(-c3ccc(OC(F)(F)F)cc3)o2)c(C)c(C)c1O
InChIInChI=1S/C17H15F3N4O3/c1-8-9(2)14(21-10(3)13(8)25)22-16-24-23-15(26-16)11-4-6-12(7-5-11)27-17(18,19)20/h4-7,25H,1-3H3,(H,21,22,24)
InChIKeyAIBFDNMDLUGGRP-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.40
Rot. Bonds4

About 2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol

2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol (PubChem CID 139562072) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol.

Molecular Properties

Compound Name2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol
PubChem CID139562072
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol
SMILESCc1nc(Nc2nnc(-c3ccc(OC(F)(F)F)cc3)o2)c(C)c(C)c1O
InChIInChI=1S/C17H15F3N4O3/c1-8-9(2)14(21-10(3)13(8)25)22-16-24-23-15(26-16)11-4-6-12(7-5-11)27-17(18,19)20/h4-7,25H,1-3H3,(H,21,22,24)
InChIKeyAIBFDNMDLUGGRP-UHFFFAOYSA-N
XLogP4.40
TPSA93.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol
CID 139559776
N-ethyl-2-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 116629257
2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 2781881
5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 155807608
(E)-3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 116629097
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7816904
1-thiophen-2-yl-N-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
CID 52904157
2-(4-methoxyphenyl)-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 31768026
N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 32509192
1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 149204916
N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 122395303
ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylate
CID 122477403

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol?
The IUPAC name of 2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol (CID 139562072) is 2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol.
What is the SMILES notation for 2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol?
The canonical SMILES for 2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol is Cc1nc(Nc2nnc(-c3ccc(OC(F)(F)F)cc3)o2)c(C)c(C)c1O.
What is the InChIKey of 2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol?
The InChIKey is AIBFDNMDLUGGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-8-9(2)14(21-10(3)13(8)25)22-16-24-23-15(26-16)11-4-6-12(7-5-11)27-17(18,19)20/h4-7,25H,1-3H3,(H,21,22,24).
What are the key properties of 2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol?
2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol has a molecular weight of 380.33 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridin-3-ol is sourced from PubChem (CID 139562072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).