[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate

C12H15N3O5 — CID 3758692

IUPAC[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCCN1C(=O)c1cc(C)on1
InChIInChI=1S/C12H15N3O5/c1-8-6-10(13-20-8)12(18)15-5-3-4-14(15)11(17)7-19-9(2)16/h6H,3-5,7H2,1-2H3
InChIKeyQYJSIOXZBGMCAA-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.14
Rot. Bonds3

About [2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate

[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate (PubChem CID 3758692) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is [2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate
PubChem CID3758692
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCCN1C(=O)c1cc(C)on1
InChIInChI=1S/C12H15N3O5/c1-8-6-10(13-20-8)12(18)15-5-3-4-14(15)11(17)7-19-9(2)16/h6H,3-5,7H2,1-2H3
InChIKeyQYJSIOXZBGMCAA-UHFFFAOYSA-N
XLogP0.14
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-3-oxopropanoate
CID 3862494
1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one
CID 3866618
cyclopropyl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
CID 4990126
furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
CID 3822140
N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 3857154
2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide
CID 3742644
N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4991946
N-[2-[[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3363983
[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 3716230
N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide
CID 4669841
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110645731
methyl 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110645755

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate (CID 3758692) is [2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate is CC(=O)OCC(=O)N1CCCN1C(=O)c1cc(C)on1.
What is the InChIKey of [2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate?
The InChIKey is QYJSIOXZBGMCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-8-6-10(13-20-8)12(18)15-5-3-4-14(15)11(17)7-19-9(2)16/h6H,3-5,7H2,1-2H3.
What are the key properties of [2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate?
[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate has a molecular weight of 281.27 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 3758692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).