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

C18H17N3O4 — CID 3239565

IUPAC5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1OC
InChIInChI=1S/C18H17N3O4/c1-23-15-6-5-13(8-17(15)24-2)16-9-14(21-25-16)18(22)20-11-12-4-3-7-19-10-12/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyUKVFKUBKSCLWGT-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.68
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 3239565) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID3239565
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1OC
InChIInChI=1S/C18H17N3O4/c1-23-15-6-5-13(8-17(15)24-2)16-9-14(21-25-16)18(22)20-11-12-4-3-7-19-10-12/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyUKVFKUBKSCLWGT-UHFFFAOYSA-N
XLogP2.68
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 3239565) is 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UKVFKUBKSCLWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-15-6-5-13(8-17(15)24-2)16-9-14(21-25-16)18(22)20-11-12-4-3-7-19-10-12/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3239565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).