2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine

C14H25N3O — CID 123337529

IUPAC2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine
SMILESCCc1nn(C(C)CCC2(C)NCCO2)cc1C
InChIInChI=1S/C14H25N3O/c1-5-13-11(2)10-17(16-13)12(3)6-7-14(4)15-8-9-18-14/h10,12,15H,5-9H2,1-4H3
InChIKeyOQBGNOFXLWEGPD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.43
Rot. Bonds5

About 2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine

2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine (PubChem CID 123337529) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine
PubChem CID123337529
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine
SMILESCCc1nn(C(C)CCC2(C)NCCO2)cc1C
InChIInChI=1S/C14H25N3O/c1-5-13-11(2)10-17(16-13)12(3)6-7-14(4)15-8-9-18-14/h10,12,15H,5-9H2,1-4H3
InChIKeyOQBGNOFXLWEGPD-UHFFFAOYSA-N
XLogP2.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine?
The IUPAC name of 2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine (CID 123337529) is 2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine?
The canonical SMILES for 2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine is CCc1nn(C(C)CCC2(C)NCCO2)cc1C.
What is the InChIKey of 2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine?
The InChIKey is OQBGNOFXLWEGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-13-11(2)10-17(16-13)12(3)6-7-14(4)15-8-9-18-14/h10,12,15H,5-9H2,1-4H3.
What are the key properties of 2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine?
2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine has a molecular weight of 251.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethyl-4-methylpyrazol-1-yl)butyl]-2-methyl-1,3-oxazolidine is sourced from PubChem (CID 123337529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).