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

C13H21N3O3 — CID 84592113

IUPACmethyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N(C)Cc2noc(C)n2)CCCCC1
InChIInChI=1S/C13H21N3O3/c1-10-14-11(15-19-10)9-16(2)13(12(17)18-3)7-5-4-6-8-13/h4-9H2,1-3H3
InChIKeyKLFHXRCQBSYANJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.69
Rot. Bonds4

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

methyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate (PubChem CID 84592113) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate
PubChem CID84592113
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N(C)Cc2noc(C)n2)CCCCC1
InChIInChI=1S/C13H21N3O3/c1-10-14-11(15-19-10)9-16(2)13(12(17)18-3)7-5-4-6-8-13/h4-9H2,1-3H3
InChIKeyKLFHXRCQBSYANJ-UHFFFAOYSA-N
XLogP1.69
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate (CID 84592113) is methyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(N(C)Cc2noc(C)n2)CCCCC1.
What is the InChIKey of methyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate?
The InChIKey is KLFHXRCQBSYANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-14-11(15-19-10)9-16(2)13(12(17)18-3)7-5-4-6-8-13/h4-9H2,1-3H3.
What are the key properties of methyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate?
methyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 84592113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).