3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole

C18H24N4O2 — CID 155196281

IUPAC3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
SMILESCC(C)c1cc(CC(C)c2cc(CC(C)c3ccn[nH]3)no2)on1
InChIInChI=1S/C18H24N4O2/c1-11(2)17-10-15(23-22-17)8-13(4)18-9-14(21-24-18)7-12(3)16-5-6-19-20-16/h5-6,9-13H,7-8H2,1-4H3,(H,19,20)
InChIKeyZIFTUMVTJOPXTI-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.20
Rot. Bonds7

About 3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole

3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole (PubChem CID 155196281) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
PubChem CID155196281
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
SMILESCC(C)c1cc(CC(C)c2cc(CC(C)c3ccn[nH]3)no2)on1
InChIInChI=1S/C18H24N4O2/c1-11(2)17-10-15(23-22-17)8-13(4)18-9-14(21-24-18)7-12(3)16-5-6-19-20-16/h5-6,9-13H,7-8H2,1-4H3,(H,19,20)
InChIKeyZIFTUMVTJOPXTI-UHFFFAOYSA-N
XLogP4.20
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole?
The IUPAC name of 3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole (CID 155196281) is 3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole.
What is the SMILES notation for 3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole?
The canonical SMILES for 3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole is CC(C)c1cc(CC(C)c2cc(CC(C)c3ccn[nH]3)no2)on1.
What is the InChIKey of 3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole?
The InChIKey is ZIFTUMVTJOPXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)17-10-15(23-22-17)8-13(4)18-9-14(21-24-18)7-12(3)16-5-6-19-20-16/h5-6,9-13H,7-8H2,1-4H3,(H,19,20).
What are the key properties of 3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole?
3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole has a molecular weight of 328.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole is sourced from PubChem (CID 155196281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).