1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one

C13H19N3O3 — CID 3741194

IUPAC1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCN1C(=O)c1c(C)noc1C
InChIInChI=1S/C13H19N3O3/c1-4-6-11(17)15-7-5-8-16(15)13(18)12-9(2)14-19-10(12)3/h4-8H2,1-3H3
InChIKeyDMFSARNESPNFPR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.68
Rot. Bonds3

About 1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one

1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one (PubChem CID 3741194) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one
PubChem CID3741194
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCN1C(=O)c1c(C)noc1C
InChIInChI=1S/C13H19N3O3/c1-4-6-11(17)15-7-5-8-16(15)13(18)12-9(2)14-19-10(12)3/h4-8H2,1-3H3
InChIKeyDMFSARNESPNFPR-UHFFFAOYSA-N
XLogP1.68
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-5-oxopentanoate
CID 3738519
methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate
CID 3413005
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-ylpyrazolidine-1-carbothioamide
CID 23770459
N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide
CID 5147270
[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 23824938
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide
CID 3602399
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125770
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 43522115
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 138378429
3-(2,5-dimethoxyphenyl)-1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one
CID 3813705
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 62215789

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one (CID 3741194) is 1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one is CCCC(=O)N1CCCN1C(=O)c1c(C)noc1C.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one?
The InChIKey is DMFSARNESPNFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-6-11(17)15-7-5-8-16(15)13(18)12-9(2)14-19-10(12)3/h4-8H2,1-3H3.
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one?
1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one has a molecular weight of 265.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one is sourced from PubChem (CID 3741194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).