N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

C24H18N2O3 — CID 2872367

IUPACN-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc2nc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)oc2cc1C
InChIInChI=1S/C24H18N2O3/c1-14-11-19-21(12-15(14)2)29-24(26-19)16-7-9-18(10-8-16)25-23(27)22-13-17-5-3-4-6-20(17)28-22/h3-13H,1-2H3,(H,25,27)
InChIKeyXLMBOEFZDNYTEP-UHFFFAOYSA-N
MW382.42 g/mol
LogP6.11
Rot. Bonds3

About N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 2872367) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID2872367
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC NameN-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc2nc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)oc2cc1C
InChIInChI=1S/C24H18N2O3/c1-14-11-19-21(12-15(14)2)29-24(26-19)16-7-9-18(10-8-16)25-23(27)22-13-17-5-3-4-6-20(17)28-22/h3-13H,1-2H3,(H,25,27)
InChIKeyXLMBOEFZDNYTEP-UHFFFAOYSA-N
XLogP6.11
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (CID 2872367) is N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1cc2nc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)oc2cc1C.
What is the InChIKey of N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is XLMBOEFZDNYTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-14-11-19-21(12-15(14)2)29-24(26-19)16-7-9-18(10-8-16)25-23(27)22-13-17-5-3-4-6-20(17)28-22/h3-13H,1-2H3,(H,25,27).
What are the key properties of N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2872367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).