3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole

C18H19N3O4 — CID 15018835

IUPAC3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole
SMILESc1cnn(OCCOc2ccc(OCc3cc(C4CC4)no3)cc2)c1
InChIInChI=1S/C18H19N3O4/c1-8-19-21(9-1)24-11-10-22-15-4-6-16(7-5-15)23-13-17-12-18(20-25-17)14-2-3-14/h1,4-9,12,14H,2-3,10-11,13H2
InChIKeyXATKBWXGPNKLBD-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.84
Rot. Bonds9

About 3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole

3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole (PubChem CID 15018835) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole
PubChem CID15018835
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole
SMILESc1cnn(OCCOc2ccc(OCc3cc(C4CC4)no3)cc2)c1
InChIInChI=1S/C18H19N3O4/c1-8-19-21(9-1)24-11-10-22-15-4-6-16(7-5-15)23-13-17-12-18(20-25-17)14-2-3-14/h1,4-9,12,14H,2-3,10-11,13H2
InChIKeyXATKBWXGPNKLBD-UHFFFAOYSA-N
XLogP2.84
TPSA71.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole?
The IUPAC name of 3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole (CID 15018835) is 3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole.
What is the SMILES notation for 3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole?
The canonical SMILES for 3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole is c1cnn(OCCOc2ccc(OCc3cc(C4CC4)no3)cc2)c1.
What is the InChIKey of 3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole?
The InChIKey is XATKBWXGPNKLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-8-19-21(9-1)24-11-10-22-15-4-6-16(7-5-15)23-13-17-12-18(20-25-17)14-2-3-14/h1,4-9,12,14H,2-3,10-11,13H2.
What are the key properties of 3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole?
3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole has a molecular weight of 341.37 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[4-(2-pyrazol-1-yloxyethoxy)phenoxy]methyl]-1,2-oxazole is sourced from PubChem (CID 15018835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).