cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate

C18H21ClN2O4 — CID 118336969

IUPACcis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
SMILESCCOc1ccc(Cl)cc1-c1nnc([C@H]2CCC[C@@H](C(=O)OC)C2)o1
InChIInChI=1S/C18H21ClN2O4/c1-3-24-15-8-7-13(19)10-14(15)17-21-20-16(25-17)11-5-4-6-12(9-11)18(22)23-2/h7-8,10-12H,3-6,9H2,1-2H3/t11-,12+/m0/s1
InChIKeyCFMNOVMKYRCQGJ-NWDGAFQWSA-N
MW364.83 g/mol
LogP4.24
Rot. Bonds5

About cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate

cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate (PubChem CID 118336969) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
PubChem CID118336969
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Namecis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
SMILESCCOc1ccc(Cl)cc1-c1nnc([C@H]2CCC[C@@H](C(=O)OC)C2)o1
InChIInChI=1S/C18H21ClN2O4/c1-3-24-15-8-7-13(19)10-14(15)17-21-20-16(25-17)11-5-4-6-12(9-11)18(22)23-2/h7-8,10-12H,3-6,9H2,1-2H3/t11-,12+/m0/s1
InChIKeyCFMNOVMKYRCQGJ-NWDGAFQWSA-N
XLogP4.24
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate 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

cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 118337312
cis-(1S,3R)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 118337612
cis-(1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 118337302
cis-(1R,3S)-3-[5-(5-chloro-2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-ethyl-5-methyl-3-oxo-2-phenylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 118336994
[(2R,6R)-6-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,4-dioxan-2-yl]methanol
CID 118337259
N-[(E)-1-anilino-3-(methylamino)-1-oxobut-2-en-2-yl]-3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxamide
CID 144906043
(2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide
CID 118336975
methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685401
4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
CID 82486187
2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole
CID 104538231
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53155334
methyl 5-tert-butyl-1-[[3-(5-chloro-2-ethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 178133061

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The IUPAC name of cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate (CID 118336969) is cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate is CCOc1ccc(Cl)cc1-c1nnc([C@H]2CCC[C@@H](C(=O)OC)C2)o1.
What is the InChIKey of cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The InChIKey is CFMNOVMKYRCQGJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-3-24-15-8-7-13(19)10-14(15)17-21-20-16(25-17)11-5-4-6-12(9-11)18(22)23-2/h7-8,10-12H,3-6,9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate has a molecular weight of 364.83 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3S)-3-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 118336969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).