2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole

C20H19ClN2O2S — CID 126012484

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
SMILESClc1ccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1
InChIInChI=1S/C20H19ClN2O2S/c21-17-8-5-14(6-9-17)13-26-20-23-22-19(25-20)12-24-18-10-7-15-3-1-2-4-16(15)11-18/h5-11H,1-4,12-13H2
InChIKeyGVLYCSVZFALSIV-UHFFFAOYSA-N
MW386.90 g/mol
LogP5.47
Rot. Bonds6

About 2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole

2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 126012484) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
PubChem CID126012484
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
SMILESClc1ccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1
InChIInChI=1S/C20H19ClN2O2S/c21-17-8-5-14(6-9-17)13-26-20-23-22-19(25-20)12-24-18-10-7-15-3-1-2-4-16(15)11-18/h5-11H,1-4,12-13H2
InChIKeyGVLYCSVZFALSIV-UHFFFAOYSA-N
XLogP5.47
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-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-[(4-chlorophenyl)methylsulfanyl]-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 92644685
2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
CID 39401349
N-(4-methoxyphenyl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126011669
2-[(3-methylphenoxy)methyl]-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 84602632
2-[(4-ethylphenoxy)methyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 862325
N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7371197
2-[(4-chlorophenoxy)methyl]-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-oxadiazole
CID 134093044
2-[(4-chlorophenoxy)methyl]-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 38834490
2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole
CID 80606126
2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 52576949
3-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 30173721
2-[(4-chlorophenoxy)methyl]-5-[2-(3-ethylphenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 112785968

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole (CID 126012484) is 2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole is Clc1ccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is GVLYCSVZFALSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-17-8-5-14(6-9-17)13-26-20-23-22-19(25-20)12-24-18-10-7-15-3-1-2-4-16(15)11-18/h5-11H,1-4,12-13H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 386.90 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126012484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).