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

C13H21N3O3 — CID 66677787

IUPACmethyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(CN(C)C)o2)CC1
InChIInChI=1S/C13H21N3O3/c1-16(2)8-11-14-15-12(19-11)9-4-6-10(7-5-9)13(17)18-3/h9-10H,4-8H2,1-3H3
InChIKeyKRQMGILJNFKCGW-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.58
Rot. Bonds4

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

methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate (PubChem CID 66677787) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
PubChem CID66677787
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(CN(C)C)o2)CC1
InChIInChI=1S/C13H21N3O3/c1-16(2)8-11-14-15-12(19-11)9-4-6-10(7-5-9)13(17)18-3/h9-10H,4-8H2,1-3H3
InChIKeyKRQMGILJNFKCGW-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[5-[(dimethylamino)methyl]-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

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate (CID 66677787) is methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nnc(CN(C)C)o2)CC1.
What is the InChIKey of methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The InChIKey is KRQMGILJNFKCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-16(2)8-11-14-15-12(19-11)9-4-6-10(7-5-9)13(17)18-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 66677787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).