6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one

C15H20N4O2 — CID 171704152

IUPAC6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESCc1noc(C)c1CN1CCN(c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C15H20N4O2/c1-11-13(12(2)21-17-11)10-18-6-8-19(9-7-18)14-4-3-5-15(20)16-14/h3-5H,6-10H2,1-2H3,(H,16,20)
InChIKeyAPLLRGVPIQCBJY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.30
Rot. Bonds3

About 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one

6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 171704152) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one
PubChem CID171704152
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESCc1noc(C)c1CN1CCN(c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C15H20N4O2/c1-11-13(12(2)21-17-11)10-18-6-8-19(9-7-18)14-4-3-5-15(20)16-14/h3-5H,6-10H2,1-2H3,(H,16,20)
InChIKeyAPLLRGVPIQCBJY-UHFFFAOYSA-N
XLogP1.30
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

4-[[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 49429606
4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 39975553
1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 56798289
7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896910
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one
CID 171326837
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 35252936
(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95161589
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]acetonitrile
CID 82143610
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone
CID 96559171
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 136519023
4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 56809888

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one (CID 171704152) is 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one is Cc1noc(C)c1CN1CCN(c2cccc(=O)[nH]2)CC1.
What is the InChIKey of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is APLLRGVPIQCBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-13(12(2)21-17-11)10-18-6-8-19(9-7-18)14-4-3-5-15(20)16-14/h3-5H,6-10H2,1-2H3,(H,16,20).
What are the key properties of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one?
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 171704152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).