2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole

C19H17ClN6OS — CID 8799663

IUPAC2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole
SMILESCc1cccc(-n2nnnc2S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1C
InChIInChI=1S/C19H17ClN6OS/c1-11-6-4-9-16(12(11)2)26-19(23-24-25-26)28-13(3)17-21-22-18(27-17)14-7-5-8-15(20)10-14/h4-10,13H,1-3H3/t13-/m1/s1
InChIKeyNIZDAYCRGHSNLD-CYBMUJFWSA-N
MW412.91 g/mol
LogP4.84
Rot. Bonds5

About 2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole

2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole (PubChem CID 8799663) has the molecular formula C19H17ClN6OS and a molecular weight of 412.91 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole
PubChem CID8799663
Molecular FormulaC19H17ClN6OS
Molecular Weight412.91 g/mol
Exact Mass412.09
IUPAC Name2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole
SMILESCc1cccc(-n2nnnc2S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1C
InChIInChI=1S/C19H17ClN6OS/c1-11-6-4-9-16(12(11)2)26-19(23-24-25-26)28-13(3)17-21-22-18(27-17)14-7-5-8-15(20)10-14/h4-10,13H,1-3H3/t13-/m1/s1
InChIKeyNIZDAYCRGHSNLD-CYBMUJFWSA-N
XLogP4.84
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-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-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46821309
1-(2,3-dimethylphenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8798481
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-[1-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 18199263
2-(3-chlorophenyl)-5-[1-(1,3-thiazol-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole
CID 56792037
2-(3-chlorophenyl)-5-[(1S)-1-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
CID 40973123
2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24579650
2-(3-chlorophenyl)-5-[(1S)-1-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 25381986
1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole
CID 60519571
[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane
CID 56529201
2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole
CID 8644330
3-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-2-methylpropan-1-ol
CID 111542528

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole (CID 8799663) is 2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole is Cc1cccc(-n2nnnc2S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1C.
What is the InChIKey of 2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole?
The InChIKey is NIZDAYCRGHSNLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17ClN6OS/c1-11-6-4-9-16(12(11)2)26-19(23-24-25-26)28-13(3)17-21-22-18(27-17)14-7-5-8-15(20)10-14/h4-10,13H,1-3H3/t13-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole has a molecular weight of 412.91 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 8799663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).