3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole

C14H15N3O — CID 12062701

IUPAC3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole
SMILESCc1cc(C)n(CCc2noc3ccccc23)n1
InChIInChI=1S/C14H15N3O/c1-10-9-11(2)17(15-10)8-7-13-12-5-3-4-6-14(12)18-16-13/h3-6,9H,7-8H2,1-2H3
InChIKeyANXMYMGTPXOVND-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.88
Rot. Bonds3

About 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole

3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole (PubChem CID 12062701) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole
PubChem CID12062701
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole
SMILESCc1cc(C)n(CCc2noc3ccccc23)n1
InChIInChI=1S/C14H15N3O/c1-10-9-11(2)17(15-10)8-7-13-12-5-3-4-6-14(12)18-16-13/h3-6,9H,7-8H2,1-2H3
InChIKeyANXMYMGTPXOVND-UHFFFAOYSA-N
XLogP2.88
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole?
The IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole (CID 12062701) is 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole?
The canonical SMILES for 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole is Cc1cc(C)n(CCc2noc3ccccc23)n1.
What is the InChIKey of 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole?
The InChIKey is ANXMYMGTPXOVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-9-11(2)17(15-10)8-7-13-12-5-3-4-6-14(12)18-16-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole?
3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole has a molecular weight of 241.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2-benzoxazole is sourced from PubChem (CID 12062701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).