N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide

C24H18N2O4 — CID 40888792

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)oc12
InChIInChI=1S/C24H18N2O4/c1-2-28-20-9-5-6-16-14-21(29-22(16)20)23(27)25-17-12-10-15(11-13-17)24-26-18-7-3-4-8-19(18)30-24/h3-14H,2H2,1H3,(H,25,27)
InChIKeyPVKUEOARBCYQCK-UHFFFAOYSA-N
MW398.42 g/mol
LogP5.89
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide (PubChem CID 40888792) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
PubChem CID40888792
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)oc12
InChIInChI=1S/C24H18N2O4/c1-2-28-20-9-5-6-16-14-21(29-22(16)20)23(27)25-17-12-10-15(11-13-17)24-26-18-7-3-4-8-19(18)30-24/h3-14H,2H2,1H3,(H,25,27)
InChIKeyPVKUEOARBCYQCK-UHFFFAOYSA-N
XLogP5.89
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888779
7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 40946707
N-[3-(1H-benzimidazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888796
7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 40888860
2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 9320899
7-methoxy-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 86963547
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 86768124
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
CID 15999485
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-ethoxybenzamide;hydrate
CID 21211873
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888822

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide (CID 40888792) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide is CCOc1cccc2cc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)oc12.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide?
The InChIKey is PVKUEOARBCYQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-2-28-20-9-5-6-16-14-21(29-22(16)20)23(27)25-17-12-10-15(11-13-17)24-26-18-7-3-4-8-19(18)30-24/h3-14H,2H2,1H3,(H,25,27).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40888792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).