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

C21H18N2O3 — CID 78890275

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(-c4cnco4)cc3)c2cc1C
InChIInChI=1S/C21H18N2O3/c1-13-7-18-16(11-25-19(18)8-14(13)2)9-21(24)23-17-5-3-15(4-6-17)20-10-22-12-26-20/h3-8,10-12H,9H2,1-2H3,(H,23,24)
InChIKeyPDGGCQMCRBAHLZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.89
Rot. Bonds4

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

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide (PubChem CID 78890275) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
PubChem CID78890275
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(-c4cnco4)cc3)c2cc1C
InChIInChI=1S/C21H18N2O3/c1-13-7-18-16(11-25-19(18)8-14(13)2)9-21(24)23-17-5-3-15(4-6-17)20-10-22-12-26-20/h3-8,10-12H,9H2,1-2H3,(H,23,24)
InChIKeyPDGGCQMCRBAHLZ-UHFFFAOYSA-N
XLogP4.89
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 87008248
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 38107740
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987
N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 46550765
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
2-(tert-butylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78923690
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-quinolin-3-ylacetamide
CID 18146505
2-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 60812605
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide (CID 78890275) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide is Cc1cc2occ(CC(=O)Nc3ccc(-c4cnco4)cc3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide?
The InChIKey is PDGGCQMCRBAHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-13-7-18-16(11-25-19(18)8-14(13)2)9-21(24)23-17-5-3-15(4-6-17)20-10-22-12-26-20/h3-8,10-12H,9H2,1-2H3,(H,23,24).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 78890275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).