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

C18H19N3O4 — CID 20869181

IUPAC3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3cccnc3)C2)cc1OC
InChIInChI=1S/C18H19N3O4/c1-23-15-6-5-13(8-16(15)24-2)14-9-17(25-21-14)18(22)20-11-12-4-3-7-19-10-12/h3-8,10,17H,9,11H2,1-2H3,(H,20,22)
InChIKeyAJTGBJPOVCWNKU-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.91
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 20869181) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID20869181
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3cccnc3)C2)cc1OC
InChIInChI=1S/C18H19N3O4/c1-23-15-6-5-13(8-16(15)24-2)14-9-17(25-21-14)18(22)20-11-12-4-3-7-19-10-12/h3-8,10,17H,9,11H2,1-2H3,(H,20,22)
InChIKeyAJTGBJPOVCWNKU-UHFFFAOYSA-N
XLogP1.91
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 20869181) is 3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)NCc3cccnc3)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is AJTGBJPOVCWNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-23-15-6-5-13(8-16(15)24-2)14-9-17(25-21-14)18(22)20-11-12-4-3-7-19-10-12/h3-8,10,17H,9,11H2,1-2H3,(H,20,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 20869181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).