methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate

C19H17N5O4 — CID 165424721

IUPACmethyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(NCc2cccc3ncnn23)noc1-c1ccc(OC)cc1
InChIInChI=1S/C19H17N5O4/c1-26-14-8-6-12(7-9-14)17-16(19(25)27-2)18(23-28-17)20-10-13-4-3-5-15-21-11-22-24(13)15/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyFQGUUYQUVDZJGX-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.79
Rot. Bonds6

About methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate

methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate (PubChem CID 165424721) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate
PubChem CID165424721
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Namemethyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(NCc2cccc3ncnn23)noc1-c1ccc(OC)cc1
InChIInChI=1S/C19H17N5O4/c1-26-14-8-6-12(7-9-14)17-16(19(25)27-2)18(23-28-17)20-10-13-4-3-5-15-21-11-22-24(13)15/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyFQGUUYQUVDZJGX-UHFFFAOYSA-N
XLogP2.79
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 3-(benzylamino)-5-(4-nitrophenyl)-1,2-oxazole-4-carboxylate
CID 134954109
5-methoxy-1-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 163315760
3-[1-(2-ethyl-1,2,4-triazol-3-yl)propylamino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 163313532
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 157016880
5-(4-methoxyphenyl)-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methylamino]-1,2-oxazole-4-carboxylic acid
CID 163312548
3-[[3-(dimethylamino)-2-methylpropyl]amino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135117861
5-(4-methoxyphenyl)-3-[2-(oxolan-3-yl)ethylamino]-1,2-oxazole-4-carboxylic acid
CID 163315225
acetic acid;5-(4-methoxyphenyl)-3-(piperidin-4-ylmethylamino)-1,2-oxazole-4-carboxylic acid
CID 154916482
N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096975
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135116460
3-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135113101
4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide
CID 163307452

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate (CID 165424721) is methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate is COC(=O)c1c(NCc2cccc3ncnn23)noc1-c1ccc(OC)cc1.
What is the InChIKey of methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate?
The InChIKey is FQGUUYQUVDZJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-26-14-8-6-12(7-9-14)17-16(19(25)27-2)18(23-28-17)20-10-13-4-3-5-15-21-11-22-24(13)15/h3-9,11H,10H2,1-2H3,(H,20,23).
What are the key properties of methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate?
methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate has a molecular weight of 379.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxyphenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 165424721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).