5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole

C17H27N3O — CID 137414929

IUPAC5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole
SMILESCCc1cc(C(C)CCC(C)n2cc(C(C)C)cn2)no1
InChIInChI=1S/C17H27N3O/c1-6-16-9-17(19-21-16)13(4)7-8-14(5)20-11-15(10-18-20)12(2)3/h9-14H,6-8H2,1-5H3
InChIKeyVKHMYMCEXKSIBF-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.70
Rot. Bonds7

About 5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole

5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole (PubChem CID 137414929) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole
PubChem CID137414929
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole
SMILESCCc1cc(C(C)CCC(C)n2cc(C(C)C)cn2)no1
InChIInChI=1S/C17H27N3O/c1-6-16-9-17(19-21-16)13(4)7-8-14(5)20-11-15(10-18-20)12(2)3/h9-14H,6-8H2,1-5H3
InChIKeyVKHMYMCEXKSIBF-UHFFFAOYSA-N
XLogP4.70
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole?
The IUPAC name of 5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole (CID 137414929) is 5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole?
The canonical SMILES for 5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole is CCc1cc(C(C)CCC(C)n2cc(C(C)C)cn2)no1.
What is the InChIKey of 5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole?
The InChIKey is VKHMYMCEXKSIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-16-9-17(19-21-16)13(4)7-8-14(5)20-11-15(10-18-20)12(2)3/h9-14H,6-8H2,1-5H3.
What are the key properties of 5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole?
5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole has a molecular weight of 289.42 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole is sourced from PubChem (CID 137414929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).