2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole

C8H9N3O — CID 123784210

IUPAC2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole
SMILESCc1ccn(Cc2ncco2)n1
InChIInChI=1S/C8H9N3O/c1-7-2-4-11(10-7)6-8-9-3-5-12-8/h2-5H,6H2,1H3
InChIKeyQKKYBTCPRQUYEH-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.23
Rot. Bonds2

About 2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole

2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole (PubChem CID 123784210) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole
PubChem CID123784210
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole
SMILESCc1ccn(Cc2ncco2)n1
InChIInChI=1S/C8H9N3O/c1-7-2-4-11(10-7)6-8-9-3-5-12-8/h2-5H,6H2,1H3
InChIKeyQKKYBTCPRQUYEH-UHFFFAOYSA-N
XLogP1.23
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole (CID 123784210) is 2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole is Cc1ccn(Cc2ncco2)n1.
What is the InChIKey of 2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is QKKYBTCPRQUYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-7-2-4-11(10-7)6-8-9-3-5-12-8/h2-5H,6H2,1H3.
What are the key properties of 2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole?
2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 163.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 123784210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).