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

C17H14N2O4 — CID 18099446

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OCc2coc(-c3ccccc3)n2)cn1
InChIInChI=1S/C17H14N2O4/c1-21-15-8-7-13(9-18-15)17(20)23-11-14-10-22-16(19-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyRYYHBMZQPOIYIY-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.10
Rot. Bonds5

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

(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate (PubChem CID 18099446) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
PubChem CID18099446
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OCc2coc(-c3ccccc3)n2)cn1
InChIInChI=1S/C17H14N2O4/c1-21-15-8-7-13(9-18-15)17(20)23-11-14-10-22-16(19-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyRYYHBMZQPOIYIY-UHFFFAOYSA-N
XLogP3.10
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 4-nitrobenzoate
CID 18126093
(2-phenyl-1,3-oxazol-4-yl)methyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 16603141
(2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 42983666
(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 2-methylfuran-3-carboxylate
CID 18197445
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 32685436
(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-(2-methoxyethylamino)-3-nitrobenzoate
CID 35310470
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(propylsulfonylamino)benzoate
CID 55553535
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 31718301

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate (CID 18099446) is (2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate is COc1ccc(C(=O)OCc2coc(-c3ccccc3)n2)cn1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate?
The InChIKey is RYYHBMZQPOIYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-21-15-8-7-13(9-18-15)17(20)23-11-14-10-22-16(19-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate?
(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 18099446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).