5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

C17H15N3O3 — CID 57401810

IUPAC5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H15N3O3/c1-22-14-7-5-12(6-8-14)16-15(20-11-23-16)17(21)19-10-13-4-2-3-9-18-13/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyFYBSLTNJJIEOIJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.68
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 57401810) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID57401810
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H15N3O3/c1-22-14-7-5-12(6-8-14)16-15(20-11-23-16)17(21)19-10-13-4-2-3-9-18-13/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyFYBSLTNJJIEOIJ-UHFFFAOYSA-N
XLogP2.68
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 16675997
N-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963589
5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963569
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255
5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 20963550
2-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 108999224
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
CID 108907670
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
2-N-[2-(4-methoxyphenoxy)ethyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136894
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
CID 2676862
5-(4-methoxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,3-oxazole-4-carboxamide
CID 53204394

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 57401810) is 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FYBSLTNJJIEOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-22-14-7-5-12(6-8-14)16-15(20-11-23-16)17(21)19-10-13-4-2-3-9-18-13/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57401810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).