2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol

C17H13ClFN5O2S2 — CID 67070839

IUPAC2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol
SMILESOCCn1c(SCc2noc(-c3cc(Cl)ccc3F)n2)nnc1-c1cccs1
InChIInChI=1S/C17H13ClFN5O2S2/c18-10-3-4-12(19)11(8-10)16-20-14(23-26-16)9-28-17-22-21-15(24(17)5-6-25)13-2-1-7-27-13/h1-4,7-8,25H,5-6,9H2
InChIKeyCEEVINIJWMEFHM-UHFFFAOYSA-N
MW437.91 g/mol
LogP4.13
Rot. Bonds7

About 2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol

2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol (PubChem CID 67070839) has the molecular formula C17H13ClFN5O2S2 and a molecular weight of 437.91 g/mol. Its IUPAC name is 2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol
PubChem CID67070839
Molecular FormulaC17H13ClFN5O2S2
Molecular Weight437.91 g/mol
Exact Mass437.02
IUPAC Name2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol
SMILESOCCn1c(SCc2noc(-c3cc(Cl)ccc3F)n2)nnc1-c1cccs1
InChIInChI=1S/C17H13ClFN5O2S2/c18-10-3-4-12(19)11(8-10)16-20-14(23-26-16)9-28-17-22-21-15(24(17)5-6-25)13-2-1-7-27-13/h1-4,7-8,25H,5-6,9H2
InChIKeyCEEVINIJWMEFHM-UHFFFAOYSA-N
XLogP4.13
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol 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

3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 10067157
5-phenyl-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 78827208
5-(2-methyl-4-pyridinyl)-3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 10044678
5-(2,5-difluorophenyl)-3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 67070672
1-[3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-[3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethane-1,2-diol
CID 67070934
5-(2-chlorophenyl)-3-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 24661576
5-(5-bromo-2-fluorophenyl)-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 67070542
3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 78827118
5-(2,4-difluorophenyl)-3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 166230333
3-tert-butyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 37326413
3-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 38852833
3-[(2-fluorophenyl)methylsulfanyl]-4-propyl-5-thiophen-2-yl-1,2,4-triazole
CID 19725630

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol?
The IUPAC name of 2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol (CID 67070839) is 2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol.
What is the SMILES notation for 2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol?
The canonical SMILES for 2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol is OCCn1c(SCc2noc(-c3cc(Cl)ccc3F)n2)nnc1-c1cccs1.
What is the InChIKey of 2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol?
The InChIKey is CEEVINIJWMEFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN5O2S2/c18-10-3-4-12(19)11(8-10)16-20-14(23-26-16)9-28-17-22-21-15(24(17)5-6-25)13-2-1-7-27-13/h1-4,7-8,25H,5-6,9H2.
What are the key properties of 2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol?
2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol has a molecular weight of 437.91 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanol is sourced from PubChem (CID 67070839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).