3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one

C17H23N5O2 — CID 45200939

IUPAC3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one
SMILESCC(C)c1noc(-c2ccc(N3CCNC(=O)C3C(C)C)nc2)n1
InChIInChI=1S/C17H23N5O2/c1-10(2)14-16(23)18-7-8-22(14)13-6-5-12(9-19-13)17-20-15(11(3)4)21-24-17/h5-6,9-11,14H,7-8H2,1-4H3,(H,18,23)
InChIKeyINGZIEWWLQTSSL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.22
Rot. Bonds4

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

3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one (PubChem CID 45200939) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one
PubChem CID45200939
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one
SMILESCC(C)c1noc(-c2ccc(N3CCNC(=O)C3C(C)C)nc2)n1
InChIInChI=1S/C17H23N5O2/c1-10(2)14-16(23)18-7-8-22(14)13-6-5-12(9-19-13)17-20-15(11(3)4)21-24-17/h5-6,9-11,14H,7-8H2,1-4H3,(H,18,23)
InChIKeyINGZIEWWLQTSSL-UHFFFAOYSA-N
XLogP2.22
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one
CID 45182259
[(2S)-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 45249597
5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 53353088
5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 124823156
(2S)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059747
[(3S)-3-methylpiperidin-1-yl]-[5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 95104525
5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133321766
methyl 4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 133319821
4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide
CID 56891914
1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one
CID 45228116
(3S)-4-(5-methyl-1,3-benzoxazol-2-yl)-3-propan-2-ylpiperazin-2-one
CID 97072010
5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 71871479

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one?
The IUPAC name of 3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one (CID 45200939) is 3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one is CC(C)c1noc(-c2ccc(N3CCNC(=O)C3C(C)C)nc2)n1.
What is the InChIKey of 3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one?
The InChIKey is INGZIEWWLQTSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10(2)14-16(23)18-7-8-22(14)13-6-5-12(9-19-13)17-20-15(11(3)4)21-24-17/h5-6,9-11,14H,7-8H2,1-4H3,(H,18,23).
What are the key properties of 3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one?
3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 45200939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).