methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate

C11H15N3O4 — CID 3413005

IUPACmethyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate
SMILESCOC(=O)N1CCCN1C(=O)c1c(C)noc1C
InChIInChI=1S/C11H15N3O4/c1-7-9(8(2)18-12-7)10(15)13-5-4-6-14(13)11(16)17-3/h4-6H2,1-3H3
InChIKeyZIQILANEGNFTHU-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.12
Rot. Bonds1

About methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate

methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate (PubChem CID 3413005) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate
PubChem CID3413005
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate
SMILESCOC(=O)N1CCCN1C(=O)c1c(C)noc1C
InChIInChI=1S/C11H15N3O4/c1-7-9(8(2)18-12-7)10(15)13-5-4-6-14(13)11(16)17-3/h4-6H2,1-3H3
InChIKeyZIQILANEGNFTHU-UHFFFAOYSA-N
XLogP1.12
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-ylpyrazolidine-1-carbothioamide
CID 23770459
1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one
CID 3741194
ethyl 5-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-5-oxopentanoate
CID 3738519
[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 23824938
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)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide
CID 3602399
3-(2,5-dimethoxyphenyl)-1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one
CID 3813705
methyl 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 115280024
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105652
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777862
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile
CID 49063486
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate?
The IUPAC name of methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate (CID 3413005) is methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate.
What is the SMILES notation for methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate?
The canonical SMILES for methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate is COC(=O)N1CCCN1C(=O)c1c(C)noc1C.
What is the InChIKey of methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate?
The InChIKey is ZIQILANEGNFTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-9(8(2)18-12-7)10(15)13-5-4-6-14(13)11(16)17-3/h4-6H2,1-3H3.
What are the key properties of methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate?
methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate is sourced from PubChem (CID 3413005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).