4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine

C11H19N3O — CID 134613039

IUPAC4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine
SMILESCc1nn(C)c(C)c1C1NC(C)(C)CO1
InChIInChI=1S/C11H19N3O/c1-7-9(8(2)14(5)13-7)10-12-11(3,4)6-15-10/h10,12H,6H2,1-5H3
InChIKeyUKXQMLUTARTJPJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.43
Rot. Bonds1

About 4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine

4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine (PubChem CID 134613039) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine
PubChem CID134613039
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine
SMILESCc1nn(C)c(C)c1C1NC(C)(C)CO1
InChIInChI=1S/C11H19N3O/c1-7-9(8(2)14(5)13-7)10-12-11(3,4)6-15-10/h10,12H,6H2,1-5H3
InChIKeyUKXQMLUTARTJPJ-UHFFFAOYSA-N
XLogP1.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine
CID 176692221
2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494
1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 95566954
2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one
CID 130730289
cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97256154
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166
(2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 120874002
2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 120552577
3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 75376872
1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 2795311
2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one
CID 81415098
4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
CID 136709686

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine?
The IUPAC name of 4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine (CID 134613039) is 4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine.
What is the SMILES notation for 4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine?
The canonical SMILES for 4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine is Cc1nn(C)c(C)c1C1NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine?
The InChIKey is UKXQMLUTARTJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7-9(8(2)14(5)13-7)10-12-11(3,4)6-15-10/h10,12H,6H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine?
4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine has a molecular weight of 209.29 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-oxazolidine is sourced from PubChem (CID 134613039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).