N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide

C14H14FN5O3 — CID 155302383

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)CC1=O
InChIInChI=1S/C14H14FN5O3/c1-19-6-7-20(8-11(19)21)14(22)16-13-18-17-12(23-13)9-2-4-10(15)5-3-9/h2-5H,6-8H2,1H3,(H,16,18,22)
InChIKeyKCIVCXOMGXAITB-UHFFFAOYSA-N
MW319.30 g/mol
LogP1.18
Rot. Bonds2

About N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 155302383) has the molecular formula C14H14FN5O3 and a molecular weight of 319.30 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide
PubChem CID155302383
Molecular FormulaC14H14FN5O3
Molecular Weight319.30 g/mol
Exact Mass319.11
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)CC1=O
InChIInChI=1S/C14H14FN5O3/c1-19-6-7-20(8-11(19)21)14(22)16-13-18-17-12(23-13)9-2-4-10(15)5-3-9/h2-5H,6-8H2,1H3,(H,16,18,22)
InChIKeyKCIVCXOMGXAITB-UHFFFAOYSA-N
XLogP1.18
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide (CID 155302383) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide is CN1CCN(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)CC1=O.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is KCIVCXOMGXAITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O3/c1-19-6-7-20(8-11(19)21)14(22)16-13-18-17-12(23-13)9-2-4-10(15)5-3-9/h2-5H,6-8H2,1H3,(H,16,18,22).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 319.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 155302383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).