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

C15H25N3O3 — CID 75533987

IUPACmethyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate
SMILESCCCc1noc(CNC2(C(=O)OC)CCC(C)CC2)n1
InChIInChI=1S/C15H25N3O3/c1-4-5-12-17-13(21-18-12)10-16-15(14(19)20-3)8-6-11(2)7-9-15/h11,16H,4-10H2,1-3H3
InChIKeyMBVUMPKDKWIWNK-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.23
Rot. Bonds6

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

methyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate (PubChem CID 75533987) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate
PubChem CID75533987
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Namemethyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate
SMILESCCCc1noc(CNC2(C(=O)OC)CCC(C)CC2)n1
InChIInChI=1S/C15H25N3O3/c1-4-5-12-17-13(21-18-12)10-16-15(14(19)20-3)8-6-11(2)7-9-15/h11,16H,4-10H2,1-3H3
InChIKeyMBVUMPKDKWIWNK-UHFFFAOYSA-N
XLogP2.23
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate (CID 75533987) is methyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate is CCCc1noc(CNC2(C(=O)OC)CCC(C)CC2)n1.
What is the InChIKey of methyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate?
The InChIKey is MBVUMPKDKWIWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-5-12-17-13(21-18-12)10-16-15(14(19)20-3)8-6-11(2)7-9-15/h11,16H,4-10H2,1-3H3.
What are the key properties of methyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate?
methyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 75533987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).