2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole

C18H11F3N4O2 — CID 11824856

IUPAC2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc4cccnc4nc3C(F)(F)F)o2)cc1
InChIInChI=1S/C18H11F3N4O2/c1-26-12-6-4-10(5-7-12)16-24-25-17(27-16)13-9-11-3-2-8-22-15(11)23-14(13)18(19,20)21/h2-9H,1H3
InChIKeyOXYNUBDWNGQDSW-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.37
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole (PubChem CID 11824856) has the molecular formula C18H11F3N4O2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
PubChem CID11824856
Molecular FormulaC18H11F3N4O2
Molecular Weight372.31 g/mol
Exact Mass372.08
IUPAC Name2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc4cccnc4nc3C(F)(F)F)o2)cc1
InChIInChI=1S/C18H11F3N4O2/c1-26-12-6-4-10(5-7-12)16-24-25-17(27-16)13-9-11-3-2-8-22-15(11)23-14(13)18(19,20)21/h2-9H,1H3
InChIKeyOXYNUBDWNGQDSW-UHFFFAOYSA-N
XLogP4.37
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole 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

N-(4-{5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}butyl)-4-(1,8-naphthyridin-2-yl)butanamide
CID 73755126
2-(4-{5-[3-Chloro-4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}butyl)-1,8-naphthyridine
CID 71449523
2-[4-(1,8-Naphthyridin-2-yl)butyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71451316
2-[4-(1,8-Naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 71454871
2-[4-Fluoro-3-(trifluoromethoxy)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71456643
2-(Difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290139
2-(Difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290238
2-(Difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290301
2-(Difluoromethyl)-5-[5-fluoro-6-(quinazolin-7-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290338
2-(2-Fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole
CID 45277104
2-(4-Methoxyphenyl)-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 45851506
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
CID 134148010

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole (CID 11824856) is 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3cc4cccnc4nc3C(F)(F)F)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
The InChIKey is OXYNUBDWNGQDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O2/c1-26-12-6-4-10(5-7-12)16-24-25-17(27-16)13-9-11-3-2-8-22-15(11)23-14(13)18(19,20)21/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole has a molecular weight of 372.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 11824856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).