methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate

C14H22N2O3 — CID 66677863

IUPACmethyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(C(C)(C)C)o2)CC1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)13-16-15-11(19-13)9-5-7-10(8-6-9)12(17)18-4/h9-10H,5-8H2,1-4H3
InChIKeyQNMPEZXEZQJUQS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.81
Rot. Bonds2

About methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate

methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate (PubChem CID 66677863) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
PubChem CID66677863
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(C(C)(C)C)o2)CC1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)13-16-15-11(19-13)9-5-7-10(8-6-9)12(17)18-4/h9-10H,5-8H2,1-4H3
InChIKeyQNMPEZXEZQJUQS-UHFFFAOYSA-N
XLogP2.81
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate (CID 66677863) is methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nnc(C(C)(C)C)o2)CC1.
What is the InChIKey of methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
The InChIKey is QNMPEZXEZQJUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)13-16-15-11(19-13)9-5-7-10(8-6-9)12(17)18-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 66677863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).