(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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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate
CID 31801590
pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate
CID 46562089
(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate
CID 18123565
(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate
CID 18098473
(2,4-dimethylphenyl) 4-(pyrazol-1-ylmethyl)benzoate
CID 30002423
(3-methyl-1,2-oxazol-5-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 31198228
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
CID 18099550
(3-methyl-1,2-oxazol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate
CID 33084402
methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate
CID 24604370
ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate
CID 79969271
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
CID 18098467
(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate
CID 32709670

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).