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

C15H23N3O3 — CID 86799860

IUPACmethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate
SMILESCOC(=O)C1CCCCCC1NCc1noc(C2CC2)n1
InChIInChI=1S/C15H23N3O3/c1-20-15(19)11-5-3-2-4-6-12(11)16-9-13-17-14(21-18-13)10-7-8-10/h10-12,16H,2-9H2,1H3
InChIKeyNWRHZLXACRRDQH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.16
Rot. Bonds5

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

methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate (PubChem CID 86799860) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate
PubChem CID86799860
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate
SMILESCOC(=O)C1CCCCCC1NCc1noc(C2CC2)n1
InChIInChI=1S/C15H23N3O3/c1-20-15(19)11-5-3-2-4-6-12(11)16-9-13-17-14(21-18-13)10-7-8-10/h10-12,16H,2-9H2,1H3
InChIKeyNWRHZLXACRRDQH-UHFFFAOYSA-N
XLogP2.16
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate?
The IUPAC name of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate (CID 86799860) is methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate.
What is the SMILES notation for methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate?
The canonical SMILES for methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate is COC(=O)C1CCCCCC1NCc1noc(C2CC2)n1.
What is the InChIKey of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate?
The InChIKey is NWRHZLXACRRDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-15(19)11-5-3-2-4-6-12(11)16-9-13-17-14(21-18-13)10-7-8-10/h10-12,16H,2-9H2,1H3.
What are the key properties of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate?
methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate is sourced from PubChem (CID 86799860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).