5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole

C15H17N3O — CID 70731003

IUPAC5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(CCc3c(C)n[nH]c3C)ccc2o1
InChIInChI=1S/C15H17N3O/c1-9-13(10(2)18-17-9)6-4-12-5-7-15-14(8-12)16-11(3)19-15/h5,7-8H,4,6H2,1-3H3,(H,17,18)
InChIKeyWHEDYZGFONJCGL-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.26
Rot. Bonds3

About 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole

5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole (PubChem CID 70731003) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole
PubChem CID70731003
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(CCc3c(C)n[nH]c3C)ccc2o1
InChIInChI=1S/C15H17N3O/c1-9-13(10(2)18-17-9)6-4-12-5-7-15-14(8-12)16-11(3)19-15/h5,7-8H,4,6H2,1-3H3,(H,17,18)
InChIKeyWHEDYZGFONJCGL-UHFFFAOYSA-N
XLogP3.26
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole (CID 70731003) is 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole is Cc1nc2cc(CCc3c(C)n[nH]c3C)ccc2o1.
What is the InChIKey of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole?
The InChIKey is WHEDYZGFONJCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-13(10(2)18-17-9)6-4-12-5-7-15-14(8-12)16-11(3)19-15/h5,7-8H,4,6H2,1-3H3,(H,17,18).
What are the key properties of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole?
5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole has a molecular weight of 255.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 70731003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).