N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

C23H16N2O3 — CID 54858220

IUPACN-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cc2nc3ccccc3o2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C23H16N2O3/c26-23(21-14-16-5-1-3-7-19(16)27-21)24-17-11-9-15(10-12-17)13-22-25-18-6-2-4-8-20(18)28-22/h1-12,14H,13H2,(H,24,26)
InChIKeyGINGIPZBPNIUJK-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.42
Rot. Bonds4

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

N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 54858220) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID54858220
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC NameN-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cc2nc3ccccc3o2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C23H16N2O3/c26-23(21-14-16-5-1-3-7-19(16)27-21)24-17-11-9-15(10-12-17)13-22-25-18-6-2-4-8-20(18)28-22/h1-12,14H,13H2,(H,24,26)
InChIKeyGINGIPZBPNIUJK-UHFFFAOYSA-N
XLogP5.42
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide
CID 54857948
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 54858624
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1016193
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-[4-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572471
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572617
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
CID 6457571
N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117664
N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 17163223
N-(1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 16858046

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (CID 54858220) is N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(Cc2nc3ccccc3o2)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is GINGIPZBPNIUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-23(21-14-16-5-1-3-7-19(16)27-21)24-17-11-9-15(10-12-17)13-22-25-18-6-2-4-8-20(18)28-22/h1-12,14H,13H2,(H,24,26).
What are the key properties of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 54858220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).