2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide

C18H16N2O4 — CID 110609698

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide
SMILESCc1nc2cccc(NC(=O)Cc3ccc4c(c3)OCCO4)c2o1
InChIInChI=1S/C18H16N2O4/c1-11-19-13-3-2-4-14(18(13)24-11)20-17(21)10-12-5-6-15-16(9-12)23-8-7-22-15/h2-6,9H,7-8,10H2,1H3,(H,20,21)
InChIKeyWUOHQYOJTSLUID-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.09
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide (PubChem CID 110609698) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide
PubChem CID110609698
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide
SMILESCc1nc2cccc(NC(=O)Cc3ccc4c(c3)OCCO4)c2o1
InChIInChI=1S/C18H16N2O4/c1-11-19-13-3-2-4-14(18(13)24-11)20-17(21)10-12-5-6-15-16(9-12)23-8-7-22-15/h2-6,9H,7-8,10H2,1H3,(H,20,21)
InChIKeyWUOHQYOJTSLUID-UHFFFAOYSA-N
XLogP3.09
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
CID 4235872
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17397609
N-(2-tert-butylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7688641
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 26515849
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-2-methylphenyl)acetamide
CID 110612495
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
CID 46869814
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-5-methylbenzoic acid
CID 171703682
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18189844
N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110417896
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2101612
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3873495
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide (CID 110609698) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide is Cc1nc2cccc(NC(=O)Cc3ccc4c(c3)OCCO4)c2o1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide?
The InChIKey is WUOHQYOJTSLUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-19-13-3-2-4-14(18(13)24-11)20-17(21)10-12-5-6-15-16(9-12)23-8-7-22-15/h2-6,9H,7-8,10H2,1H3,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide is sourced from PubChem (CID 110609698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).