(5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate

C18H17N3O4 — CID 27027662

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
SMILESCOc1ccccc1Nc1ncccc1C(=O)OCc1cc(C)on1
InChIInChI=1S/C18H17N3O4/c1-12-10-13(21-25-12)11-24-18(22)14-6-5-9-19-17(14)20-15-7-3-4-8-16(15)23-2/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyKDVZGLXSGKNRRE-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.49
Rot. Bonds6

About (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate (PubChem CID 27027662) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
PubChem CID27027662
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
SMILESCOc1ccccc1Nc1ncccc1C(=O)OCc1cc(C)on1
InChIInChI=1S/C18H17N3O4/c1-12-10-13(21-25-12)11-24-18(22)14-6-5-9-19-17(14)20-15-7-3-4-8-16(15)23-2/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyKDVZGLXSGKNRRE-UHFFFAOYSA-N
XLogP3.49
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27908502
(1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27027534
[2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 4844062
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate
CID 8945252
2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 51250549
[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 4785082
(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 9063187
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate
CID 110443915
2-(2-methoxyanilino)pyridine-3-carboximidamide
CID 82253401
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 38209532

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate (CID 27027662) is (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate is COc1ccccc1Nc1ncccc1C(=O)OCc1cc(C)on1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate?
The InChIKey is KDVZGLXSGKNRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12-10-13(21-25-12)11-24-18(22)14-6-5-9-19-17(14)20-15-7-3-4-8-16(15)23-2/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate?
(5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 27027662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).