cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

C19H24N2O4S — CID 646743

IUPACcyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCc1cc(C)cc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)c1
InChIInChI=1S/C19H24N2O4S/c1-13-8-14(2)10-16(9-13)23-11-17-20-21-19(25-17)26-12-18(22)24-15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3
InChIKeyXRILRJVNZGWQCV-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.23
Rot. Bonds7

About cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 646743) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID646743
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Namecyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCc1cc(C)cc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)c1
InChIInChI=1S/C19H24N2O4S/c1-13-8-14(2)10-16(9-13)23-11-17-20-21-19(25-17)26-12-18(22)24-15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3
InChIKeyXRILRJVNZGWQCV-UHFFFAOYSA-N
XLogP4.23
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate with MolForge

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Related Compounds

1-Piperidin-1-yl-2-(5-m-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 864816
2-[5-(3,5-Dimethyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-piperidin-1-yl-ethanone
CID 1134808
Methyl 2-[5-(naphthyloxymethyl)-1,3,4-oxadiazol-2-ylthio]acetate
CID 864835
[5-(Naphthalen-1-yloxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid
CID 866200
[5-(4-Chloro-3-methyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid cyclohexyl ester
CID 649683
[5-(3,5-Dimethyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid isopropyl ester
CID 862340
[5-(Naphthalen-2-yloxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid ethyl ester
CID 865830
N-cyclohexyl-N-methyl-2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 2399766
2-[5-(3,5-Dimethyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-phenyl-ethanone
CID 647838
(5-m-Tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid cyclohexyl ester
CID 648403
4-Methoxy-3-(5-m-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-benzoic acid methyl ester
CID 649574
[5-(3-Methoxy-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid benzyl ester
CID 652964

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 646743) is cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is Cc1cc(C)cc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)c1.
What is the InChIKey of cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is XRILRJVNZGWQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-8-14(2)10-16(9-13)23-11-17-20-21-19(25-17)26-12-18(22)24-15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3.
What are the key properties of cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 376.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 646743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).