1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one

C10H12F2N4O2 — CID 128504686

IUPAC1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one
SMILESO=C1CN(c2nnc(C(F)F)o2)CCN1C1CC1
InChIInChI=1S/C10H12F2N4O2/c11-8(12)9-13-14-10(18-9)15-3-4-16(6-1-2-6)7(17)5-15/h6,8H,1-5H2
InChIKeyRFQGPRTXQNGURV-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.82
Rot. Bonds3

About 1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one

1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one (PubChem CID 128504686) has the molecular formula C10H12F2N4O2 and a molecular weight of 258.23 g/mol. Its IUPAC name is 1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one
PubChem CID128504686
Molecular FormulaC10H12F2N4O2
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one
SMILESO=C1CN(c2nnc(C(F)F)o2)CCN1C1CC1
InChIInChI=1S/C10H12F2N4O2/c11-8(12)9-13-14-10(18-9)15-3-4-16(6-1-2-6)7(17)5-15/h6,8H,1-5H2
InChIKeyRFQGPRTXQNGURV-UHFFFAOYSA-N
XLogP0.82
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one (CID 128504686) is 1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one is O=C1CN(c2nnc(C(F)F)o2)CCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one?
The InChIKey is RFQGPRTXQNGURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O2/c11-8(12)9-13-14-10(18-9)15-3-4-16(6-1-2-6)7(17)5-15/h6,8H,1-5H2.
What are the key properties of 1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one?
1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one has a molecular weight of 258.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-2-one is sourced from PubChem (CID 128504686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).