methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate

C13H17F3N2O3 — CID 143614611

IUPACmethyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(CC(F)C(F)F)o2)CC1
InChIInChI=1S/C13H17F3N2O3/c1-20-13(19)8-4-2-7(3-5-8)12-18-17-10(21-12)6-9(14)11(15)16/h7-9,11H,2-6H2,1H3
InChIKeyMWDJETFXVYJJMY-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.66
Rot. Bonds5

About methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate

methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate (PubChem CID 143614611) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
PubChem CID143614611
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Namemethyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(CC(F)C(F)F)o2)CC1
InChIInChI=1S/C13H17F3N2O3/c1-20-13(19)8-4-2-7(3-5-8)12-18-17-10(21-12)6-9(14)11(15)16/h7-9,11H,2-6H2,1H3
InChIKeyMWDJETFXVYJJMY-UHFFFAOYSA-N
XLogP2.66
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[5-(2,3,3-trifluoropropyl)-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

4-[5-(3,3,3-Trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
CID 66677781
Methyl 4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 66677958
trans-Methyl 4-(5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl)cyclohexanecarboxylate
CID 66678019
4-[5-(2,2-Difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
CID 66678025
trans-Methyl 4-(5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl)cyclohexanecarboxylate
CID 66678057
2-Cyclohexyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
CID 71130800
2-Cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole
CID 146389199
2-(Difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
CID 153456384
Methyl 4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 165399674
4-[5-(4,4-Difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
CID 165399680
Methyl 4-[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 165399728
Methyl 4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 165399735

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate (CID 143614611) is methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nnc(CC(F)C(F)F)o2)CC1.
What is the InChIKey of methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The InChIKey is MWDJETFXVYJJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-20-13(19)8-4-2-7(3-5-8)12-18-17-10(21-12)6-9(14)11(15)16/h7-9,11H,2-6H2,1H3.
What are the key properties of methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate has a molecular weight of 306.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(2,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 143614611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).