3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole

C17H18N4O3 — CID 75372440

IUPAC3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole
SMILESCn1cc(COc2ccc(OCc3nc(C4CC4)no3)cc2)cn1
InChIInChI=1S/C17H18N4O3/c1-21-9-12(8-18-21)10-22-14-4-6-15(7-5-14)23-11-16-19-17(20-24-16)13-2-3-13/h4-9,13H,2-3,10-11H2,1H3
InChIKeyJTHYSFAESTYOOD-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.84
Rot. Bonds7

About 3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole (PubChem CID 75372440) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole
PubChem CID75372440
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole
SMILESCn1cc(COc2ccc(OCc3nc(C4CC4)no3)cc2)cn1
InChIInChI=1S/C17H18N4O3/c1-21-9-12(8-18-21)10-22-14-4-6-15(7-5-14)23-11-16-19-17(20-24-16)13-2-3-13/h4-9,13H,2-3,10-11H2,1H3
InChIKeyJTHYSFAESTYOOD-UHFFFAOYSA-N
XLogP2.84
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole (CID 75372440) is 3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole is Cn1cc(COc2ccc(OCc3nc(C4CC4)no3)cc2)cn1.
What is the InChIKey of 3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole?
The InChIKey is JTHYSFAESTYOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-21-9-12(8-18-21)10-22-14-4-6-15(7-5-14)23-11-16-19-17(20-24-16)13-2-3-13/h4-9,13H,2-3,10-11H2,1H3.
What are the key properties of 3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole has a molecular weight of 326.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75372440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).