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

C13H20N2O3 — CID 66677862

IUPACmethyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(C(C)C)o2)CC1
InChIInChI=1S/C13H20N2O3/c1-8(2)11-14-15-12(18-11)9-4-6-10(7-5-9)13(16)17-3/h8-10H,4-7H2,1-3H3
InChIKeyIEYOWSQPIIOKND-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.64
Rot. Bonds3

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

methyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate (PubChem CID 66677862) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
PubChem CID66677862
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(C(C)C)o2)CC1
InChIInChI=1S/C13H20N2O3/c1-8(2)11-14-15-12(18-11)9-4-6-10(7-5-9)13(16)17-3/h8-10H,4-7H2,1-3H3
InChIKeyIEYOWSQPIIOKND-UHFFFAOYSA-N
XLogP2.64
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate (CID 66677862) is methyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nnc(C(C)C)o2)CC1.
What is the InChIKey of methyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
The InChIKey is IEYOWSQPIIOKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)11-14-15-12(18-11)9-4-6-10(7-5-9)13(16)17-3/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
methyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 66677862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).