(2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate

C21H15N3O4 — CID 71897714

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate
SMILESO=C(OCc1coc(-c2ccccc2)n1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C21H15N3O4/c25-19-12-11-18(23-24(19)17-9-5-2-6-10-17)21(26)28-14-16-13-27-20(22-16)15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyVLUCBGZAVWJBML-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.24
Rot. Bonds5

About (2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate

(2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate (PubChem CID 71897714) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate
PubChem CID71897714
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate
SMILESO=C(OCc1coc(-c2ccccc2)n1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C21H15N3O4/c25-19-12-11-18(23-24(19)17-9-5-2-6-10-17)21(26)28-14-16-13-27-20(22-16)15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyVLUCBGZAVWJBML-UHFFFAOYSA-N
XLogP3.24
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 16500587
(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate
CID 166222394
(2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 16604239
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
(2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199699
(2-phenyl-1,3-oxazol-4-yl)methyl 4-nitrobenzoate
CID 18126093
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
(2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 16605256
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 16508797
(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
CID 18099446
(2-phenyl-1,3-oxazol-4-yl)methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 32925580

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate (CID 71897714) is (2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate is O=C(OCc1coc(-c2ccccc2)n1)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate?
The InChIKey is VLUCBGZAVWJBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c25-19-12-11-18(23-24(19)17-9-5-2-6-10-17)21(26)28-14-16-13-27-20(22-16)15-7-3-1-4-8-15/h1-13H,14H2.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate?
(2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate has a molecular weight of 373.37 g/mol, XLogP of 3.24, 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 6-oxo-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 71897714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).