N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C16H16N2O5 — CID 9113969

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cc1c(C)noc1C)OCO2
InChIInChI=1S/C16H16N2O5/c1-8-11(10(3)23-18-8)5-16(20)17-13-6-15-14(21-7-22-15)4-12(13)9(2)19/h4,6H,5,7H2,1-3H3,(H,17,20)
InChIKeyUUASKIGBVQSSTD-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.40
Rot. Bonds4

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 9113969) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID9113969
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cc1c(C)noc1C)OCO2
InChIInChI=1S/C16H16N2O5/c1-8-11(10(3)23-18-8)5-16(20)17-13-6-15-14(21-7-22-15)4-12(13)9(2)19/h4,6H,5,7H2,1-3H3,(H,17,20)
InChIKeyUUASKIGBVQSSTD-UHFFFAOYSA-N
XLogP2.40
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 9113969) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is CC(=O)c1cc2c(cc1NC(=O)Cc1c(C)noc1C)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is UUASKIGBVQSSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-8-11(10(3)23-18-8)5-16(20)17-13-6-15-14(21-7-22-15)4-12(13)9(2)19/h4,6H,5,7H2,1-3H3,(H,17,20).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 316.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 9113969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).