4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide

C21H18N2O4 — CID 46942551

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)cc1
InChIInChI=1S/C21H18N2O4/c1-12-19(13(2)27-23-12)16-8-9-18(20-17(16)10-11-26-20)21(24)22-14-4-6-15(25-3)7-5-14/h4-11H,1-3H3,(H,22,24)
InChIKeyXLOQOHIACFOUJR-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.97
Rot. Bonds4

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide (PubChem CID 46942551) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide
PubChem CID46942551
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)cc1
InChIInChI=1S/C21H18N2O4/c1-12-19(13(2)27-23-12)16-8-9-18(20-17(16)10-11-26-20)21(24)22-14-4-6-15(25-3)7-5-14/h4-11H,1-3H3,(H,22,24)
InChIKeyXLOQOHIACFOUJR-UHFFFAOYSA-N
XLogP4.97
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide (CID 46942551) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide is COc1ccc(NC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)cc1.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide?
The InChIKey is XLOQOHIACFOUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-12-19(13(2)27-23-12)16-8-9-18(20-17(16)10-11-26-20)21(24)22-14-4-6-15(25-3)7-5-14/h4-11H,1-3H3,(H,22,24).
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46942551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).