methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate

C16H19N3O3 — CID 8741633

IUPACmethyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H19N3O3/c1-21-16(20)13-7-9-19(10-8-13)11-14-17-18-15(22-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyRNBNAJBHOGRBOQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.12
Rot. Bonds4

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

methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate (PubChem CID 8741633) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate
PubChem CID8741633
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H19N3O3/c1-21-16(20)13-7-9-19(10-8-13)11-14-17-18-15(22-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyRNBNAJBHOGRBOQ-UHFFFAOYSA-N
XLogP2.12
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate (CID 8741633) is methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate?
The InChIKey is RNBNAJBHOGRBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-16(20)13-7-9-19(10-8-13)11-14-17-18-15(22-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate?
methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 8741633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).