[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate

C18H16N2O4 — CID 159539835

IUPAC[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
SMILESCOc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1
InChIInChI=1S/C18H16N2O4/c1-12-3-4-14(10-19-12)18(21)23-11-16-9-17(20-24-16)13-5-7-15(22-2)8-6-13/h3-10H,11H2,1-2H3
InChIKeySJWMDFIGFOTNHB-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.41
Rot. Bonds5

About [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (PubChem CID 159539835) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
PubChem CID159539835
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
SMILESCOc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1
InChIInChI=1S/C18H16N2O4/c1-12-3-4-14(10-19-12)18(21)23-11-16-9-17(20-24-16)13-5-7-15(22-2)8-6-13/h3-10H,11H2,1-2H3
InChIKeySJWMDFIGFOTNHB-UHFFFAOYSA-N
XLogP3.41
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16580445
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 24561943
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377
[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
CID 138465283
3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
CID 158071727
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,3-dimethoxybenzoate
CID 17482588
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
CID 16580243
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16580397
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 138465127
methyl 4-[5-[[2-(4-methoxyphenyl)phenoxy]methyl]-1,2-oxazol-3-yl]benzoate
CID 134847157
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 5-nitrofuran-2-carboxylate
CID 16961243

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?
The IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate (CID 159539835) is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is COc1ccc(-c2cc(COC(=O)c3ccc(C)nc3)on2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?
The InChIKey is SJWMDFIGFOTNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12-3-4-14(10-19-12)18(21)23-11-16-9-17(20-24-16)13-5-7-15(22-2)8-6-13/h3-10H,11H2,1-2H3.
What are the key properties of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate?
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 159539835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).