(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate

C20H16N4O3 — CID 166222394

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OCc2coc(-c3ccccc3)n2)c(-c2ccncc2)n1
InChIInChI=1S/C20H16N4O3/c1-24-11-17(18(23-24)14-7-9-21-10-8-14)20(25)27-13-16-12-26-19(22-16)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyYZUVAIOKWQMTOH-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.49
Rot. Bonds5

About (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate

(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate (PubChem CID 166222394) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate
PubChem CID166222394
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OCc2coc(-c3ccccc3)n2)c(-c2ccncc2)n1
InChIInChI=1S/C20H16N4O3/c1-24-11-17(18(23-24)14-7-9-21-10-8-14)20(25)27-13-16-12-26-19(22-16)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyYZUVAIOKWQMTOH-UHFFFAOYSA-N
XLogP3.49
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
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(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
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[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
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(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate (CID 166222394) is (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate is Cn1cc(C(=O)OCc2coc(-c3ccccc3)n2)c(-c2ccncc2)n1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate?
The InChIKey is YZUVAIOKWQMTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-24-11-17(18(23-24)14-7-9-21-10-8-14)20(25)27-13-16-12-26-19(22-16)15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate?
(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate is sourced from PubChem (CID 166222394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).