N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

C26H22N2O3 — CID 3810598

IUPACN-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCCC(C)c1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)nc2c1
InChIInChI=1S/C26H22N2O3/c1-3-16(2)18-10-13-23-21(14-18)28-26(31-23)17-8-11-20(12-9-17)27-25(29)24-15-19-6-4-5-7-22(19)30-24/h4-16H,3H2,1-2H3,(H,27,29)
InChIKeyLDPJLDBTGKZXCQ-UHFFFAOYSA-N
MW410.47 g/mol
LogP7.01
Rot. Bonds5

About N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 3810598) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID3810598
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCCC(C)c1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)nc2c1
InChIInChI=1S/C26H22N2O3/c1-3-16(2)18-10-13-23-21(14-18)28-26(31-23)17-8-11-20(12-9-17)27-25(29)24-15-19-6-4-5-7-22(19)30-24/h4-16H,3H2,1-2H3,(H,27,29)
InChIKeyLDPJLDBTGKZXCQ-UHFFFAOYSA-N
XLogP7.01
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (CID 3810598) is N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is CCC(C)c1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)nc2c1.
What is the InChIKey of N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is LDPJLDBTGKZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-3-16(2)18-10-13-23-21(14-18)28-26(31-23)17-8-11-20(12-9-17)27-25(29)24-15-19-6-4-5-7-22(19)30-24/h4-16H,3H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3810598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).