5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one

C18H17N5O4 — CID 71780480

IUPAC5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one
SMILESCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(=O)oc4)CC3)nc2)no1
InChIInChI=1S/C18H17N5O4/c1-12-20-17(21-27-12)13-2-4-15(19-10-13)22-6-8-23(9-7-22)18(25)14-3-5-16(24)26-11-14/h2-5,10-11H,6-9H2,1H3
InChIKeyCSXVVNFVDJPLOP-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.36
Rot. Bonds3

About 5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one

5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one (PubChem CID 71780480) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is 5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one
PubChem CID71780480
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one
SMILESCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(=O)oc4)CC3)nc2)no1
InChIInChI=1S/C18H17N5O4/c1-12-20-17(21-27-12)13-2-4-15(19-10-13)22-6-8-23(9-7-22)18(25)14-3-5-16(24)26-11-14/h2-5,10-11H,6-9H2,1H3
InChIKeyCSXVVNFVDJPLOP-UHFFFAOYSA-N
XLogP1.36
TPSA105.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one with MolForge

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Related Compounds

3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90491225
[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 90491240
1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 90491259
(2-chloro-4-fluorophenyl)-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491256
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71780477
cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491282
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
N-[4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]phenyl]acetamide
CID 90491564
6-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90491302
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53041886

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one?
The IUPAC name of 5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one (CID 71780480) is 5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one?
The canonical SMILES for 5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one is Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(=O)oc4)CC3)nc2)no1.
What is the InChIKey of 5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one?
The InChIKey is CSXVVNFVDJPLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-12-20-17(21-27-12)13-2-4-15(19-10-13)22-6-8-23(9-7-22)18(25)14-3-5-16(24)26-11-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one?
5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one has a molecular weight of 367.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 71780480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).