N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide

C14H21F2N5O2 — CID 154759234

IUPACN-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCN1CCN(c2nnc(C(F)F)o2)CC1)C1CCC1
InChIInChI=1S/C14H21F2N5O2/c15-11(16)13-18-19-14(23-13)21-8-6-20(7-9-21)5-4-17-12(22)10-2-1-3-10/h10-11H,1-9H2,(H,17,22)
InChIKeyOVNCBBNAEJFYIY-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.05
Rot. Bonds6

About N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide

N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide (PubChem CID 154759234) has the molecular formula C14H21F2N5O2 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
PubChem CID154759234
Molecular FormulaC14H21F2N5O2
Molecular Weight329.35 g/mol
Exact Mass329.17
IUPAC NameN-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCN1CCN(c2nnc(C(F)F)o2)CC1)C1CCC1
InChIInChI=1S/C14H21F2N5O2/c15-11(16)13-18-19-14(23-13)21-8-6-20(7-9-21)5-4-17-12(22)10-2-1-3-10/h10-11H,1-9H2,(H,17,22)
InChIKeyOVNCBBNAEJFYIY-UHFFFAOYSA-N
XLogP1.05
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide (CID 154759234) is N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide is O=C(NCCN1CCN(c2nnc(C(F)F)o2)CC1)C1CCC1.
What is the InChIKey of N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is OVNCBBNAEJFYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O2/c15-11(16)13-18-19-14(23-13)21-8-6-20(7-9-21)5-4-17-12(22)10-2-1-3-10/h10-11H,1-9H2,(H,17,22).
What are the key properties of N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 329.35 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 154759234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).