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

C12H17N3O3 — CID 3866618

IUPAC1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCN1C(=O)c1cc(C)on1
InChIInChI=1S/C12H17N3O3/c1-3-5-11(16)14-6-4-7-15(14)12(17)10-8-9(2)18-13-10/h8H,3-7H2,1-2H3
InChIKeyIMUNBKNZQJDIAT-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.37
Rot. Bonds3

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

1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one (PubChem CID 3866618) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one
PubChem CID3866618
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCN1C(=O)c1cc(C)on1
InChIInChI=1S/C12H17N3O3/c1-3-5-11(16)14-6-4-7-15(14)12(17)10-8-9(2)18-13-10/h8H,3-7H2,1-2H3
InChIKeyIMUNBKNZQJDIAT-UHFFFAOYSA-N
XLogP1.37
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-3-oxopropanoate
CID 3862494
[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate
CID 3758692
cyclopropyl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
CID 4990126
1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one
CID 3741194
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
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110645733
N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide
CID 4669841

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one (CID 3866618) is 1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one is CCCC(=O)N1CCCN1C(=O)c1cc(C)on1.
What is the InChIKey of 1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one?
The InChIKey is IMUNBKNZQJDIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-5-11(16)14-6-4-7-15(14)12(17)10-8-9(2)18-13-10/h8H,3-7H2,1-2H3.
What are the key properties of 1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one?
1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one has a molecular weight of 251.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one is sourced from PubChem (CID 3866618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).