(3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate

C16H15N3O3 — CID 18141838

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate
SMILESCc1cc(COC(=O)c2ccc(Cn3cccn3)cc2)on1
InChIInChI=1S/C16H15N3O3/c1-12-9-15(22-18-12)11-21-16(20)14-5-3-13(4-6-14)10-19-8-2-7-17-19/h2-9H,10-11H2,1H3
InChIKeyHJDJQHPJERJESQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.58
Rot. Bonds5

About (3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate

(3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate (PubChem CID 18141838) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate
PubChem CID18141838
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate
SMILESCc1cc(COC(=O)c2ccc(Cn3cccn3)cc2)on1
InChIInChI=1S/C16H15N3O3/c1-12-9-15(22-18-12)11-21-16(20)14-5-3-13(4-6-14)10-19-8-2-7-17-19/h2-9H,10-11H2,1H3
InChIKeyHJDJQHPJERJESQ-UHFFFAOYSA-N
XLogP2.58
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate (CID 18141838) is (3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate is Cc1cc(COC(=O)c2ccc(Cn3cccn3)cc2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate?
The InChIKey is HJDJQHPJERJESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-12-9-15(22-18-12)11-21-16(20)14-5-3-13(4-6-14)10-19-8-2-7-17-19/h2-9H,10-11H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate has a molecular weight of 297.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate is sourced from PubChem (CID 18141838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).