N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide

C18H17N3O4 — CID 139413065

IUPACN-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1cc(-c2ccc3c(c2)OCC3NC(=O)c2cnc(C)o2)no1
InChIInChI=1S/C18H17N3O4/c1-3-12-7-14(21-25-12)11-4-5-13-15(9-23-16(13)6-11)20-18(22)17-8-19-10(2)24-17/h4-8,15H,3,9H2,1-2H3,(H,20,22)
InChIKeyJYEFFNFWZUMTKN-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.06
Rot. Bonds4

About N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide

N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 139413065) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID139413065
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1cc(-c2ccc3c(c2)OCC3NC(=O)c2cnc(C)o2)no1
InChIInChI=1S/C18H17N3O4/c1-3-12-7-14(21-25-12)11-4-5-13-15(9-23-16(13)6-11)20-18(22)17-8-19-10(2)24-17/h4-8,15H,3,9H2,1-2H3,(H,20,22)
InChIKeyJYEFFNFWZUMTKN-UHFFFAOYSA-N
XLogP3.06
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide (CID 139413065) is N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide is CCc1cc(-c2ccc3c(c2)OCC3NC(=O)c2cnc(C)o2)no1.
What is the InChIKey of N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is JYEFFNFWZUMTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-12-7-14(21-25-12)11-4-5-13-15(9-23-16(13)6-11)20-18(22)17-8-19-10(2)24-17/h4-8,15H,3,9H2,1-2H3,(H,20,22).
What are the key properties of N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?
N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 139413065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).