N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide

C22H18N2O4 — CID 46948552

IUPACN-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)c1
InChIInChI=1S/C22H18N2O4/c1-12-20(14(3)28-24-12)17-7-8-19(21-18(17)9-10-27-21)22(26)23-16-6-4-5-15(11-16)13(2)25/h4-11H,1-3H3,(H,23,26)
InChIKeyKULUDVUNFLDQNU-UHFFFAOYSA-N
MW374.40 g/mol
LogP5.16
Rot. Bonds4

About N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide

N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide (PubChem CID 46948552) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide
PubChem CID46948552
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)c1
InChIInChI=1S/C22H18N2O4/c1-12-20(14(3)28-24-12)17-7-8-19(21-18(17)9-10-27-21)22(26)23-16-6-4-5-15(11-16)13(2)25/h4-11H,1-3H3,(H,23,26)
InChIKeyKULUDVUNFLDQNU-UHFFFAOYSA-N
XLogP5.16
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 134812728
4-(3,5-dimethyl-4-isoxazolyl)-N-phenyl-7-benzofurancarboxamide
CID 49778761
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-7-carboxamide
CID 49786196
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-7-carboxamide
CID 49795538
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-1-benzofuran-7-carboxamide
CID 46942551
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide
CID 46948333
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide
CID 49778532
N-cyclohexyl-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide
CID 49786453
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-7-carboxamide
CID 49786798
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide
CID 49789378
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)-1-benzofuran-7-carboxamide
CID 49789472
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-1-benzofuran-7-carboxamide
CID 49789585

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide (CID 46948552) is N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide?
The InChIKey is KULUDVUNFLDQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-12-20(14(3)28-24-12)17-7-8-19(21-18(17)9-10-27-21)22(26)23-16-6-4-5-15(11-16)13(2)25/h4-11H,1-3H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide?
N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46948552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).