2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide

C24H23N3O4 — CID 24816669

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(Cc2nc3ccc(C(=O)NCCc4ccccn4)cc3o2)cc1OC
InChIInChI=1S/C24H23N3O4/c1-29-20-9-6-16(13-22(20)30-2)14-23-27-19-8-7-17(15-21(19)31-23)24(28)26-12-10-18-5-3-4-11-25-18/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,26,28)
InChIKeyWPZNDDIOCHIEGV-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.80
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide

2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 24816669) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID24816669
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(Cc2nc3ccc(C(=O)NCCc4ccccn4)cc3o2)cc1OC
InChIInChI=1S/C24H23N3O4/c1-29-20-9-6-16(13-22(20)30-2)14-23-27-19-8-7-17(15-21(19)31-23)24(28)26-12-10-18-5-3-4-11-25-18/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,26,28)
InChIKeyWPZNDDIOCHIEGV-UHFFFAOYSA-N
XLogP3.80
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide (CID 24816669) is 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide is COc1ccc(Cc2nc3ccc(C(=O)NCCc4ccccn4)cc3o2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is WPZNDDIOCHIEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-29-20-9-6-16(13-22(20)30-2)14-23-27-19-8-7-17(15-21(19)31-23)24(28)26-12-10-18-5-3-4-11-25-18/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,26,28).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24816669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).