N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

C18H17N3O3 — CID 108740199

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc2onc(CC(=O)Nc3oc(C)c(C)c3C#N)c2cc1C
InChIInChI=1S/C18H17N3O3/c1-9-5-13-15(21-24-16(13)6-10(9)2)7-17(22)20-18-14(8-19)11(3)12(4)23-18/h5-6H,7H2,1-4H3,(H,20,22)
InChIKeyDQYXUXBEEQLHFB-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.71
Rot. Bonds3

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108740199) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108740199
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc2onc(CC(=O)Nc3oc(C)c(C)c3C#N)c2cc1C
InChIInChI=1S/C18H17N3O3/c1-9-5-13-15(21-24-16(13)6-10(9)2)7-17(22)20-18-14(8-19)11(3)12(4)23-18/h5-6H,7H2,1-4H3,(H,20,22)
InChIKeyDQYXUXBEEQLHFB-UHFFFAOYSA-N
XLogP3.71
TPSA92.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide with MolForge

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108804375
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 108792125
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108737075
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylacetamide
CID 108740257
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 108804393
methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108804334
3-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 108804310
N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108791964
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 108762849
2-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]butanoic acid
CID 108804264
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108792103

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108740199) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is Cc1cc2onc(CC(=O)Nc3oc(C)c(C)c3C#N)c2cc1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is DQYXUXBEEQLHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-9-5-13-15(21-24-16(13)6-10(9)2)7-17(22)20-18-14(8-19)11(3)12(4)23-18/h5-6H,7H2,1-4H3,(H,20,22).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108740199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).