2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole

C19H17FN6OS — CID 67070874

IUPAC2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(C(C)Sc3nnc(-c4ccc(F)cc4)n3C)o2)ccn1
InChIInChI=1S/C19H17FN6OS/c1-11-10-14(8-9-21-11)18-24-23-17(27-18)12(2)28-19-25-22-16(26(19)3)13-4-6-15(20)7-5-13/h4-10,12H,1-3H3
InChIKeyQGRXMSYLJVTMAT-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.23
Rot. Bonds5

About 2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole

2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole (PubChem CID 67070874) has the molecular formula C19H17FN6OS and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
PubChem CID67070874
Molecular FormulaC19H17FN6OS
Molecular Weight396.45 g/mol
Exact Mass396.12
IUPAC Name2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(C(C)Sc3nnc(-c4ccc(F)cc4)n3C)o2)ccn1
InChIInChI=1S/C19H17FN6OS/c1-11-10-14(8-9-21-11)18-24-23-17(27-18)12(2)28-19-25-22-16(26(19)3)13-4-6-15(20)7-5-13/h4-10,12H,1-3H3
InChIKeyQGRXMSYLJVTMAT-UHFFFAOYSA-N
XLogP4.23
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-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

2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807804
2-(3-chlorophenyl)-5-[(1S)-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
CID 40815082
2-[(1R)-1-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7629926
2-[(1R)-1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7630065
2-[(1S)-1-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 41104276
3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole
CID 7897450
3-[(4-fluorophenyl)methyl]-5-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-4-amine
CID 8914075
3-(3-fluorophenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,2,4-triazol-4-amine
CID 8954429
2-[1-(4-fluorophenyl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 18201977
2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166
2-[1-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 43031889
3-(2-methylfuran-3-yl)-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,2,4-triazol-4-amine
CID 51209297

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole (CID 67070874) is 2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole is Cc1cc(-c2nnc(C(C)Sc3nnc(-c4ccc(F)cc4)n3C)o2)ccn1.
What is the InChIKey of 2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is QGRXMSYLJVTMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6OS/c1-11-10-14(8-9-21-11)18-24-23-17(27-18)12(2)28-19-25-22-16(26(19)3)13-4-6-15(20)7-5-13/h4-10,12H,1-3H3.
What are the key properties of 2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole?
2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 396.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 67070874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).