4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide

C19H22N2O5 — CID 55641485

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide
SMILESCc1noc(C)c1CN(C)C(=O)CCC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O5/c1-12-15(13(2)26-20-12)11-21(3)19(23)7-5-16(22)14-4-6-17-18(10-14)25-9-8-24-17/h4,6,10H,5,7-9,11H2,1-3H3
InChIKeyZXACNFJNDKCTDM-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.68
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide (PubChem CID 55641485) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide
PubChem CID55641485
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide
SMILESCc1noc(C)c1CN(C)C(=O)CCC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O5/c1-12-15(13(2)26-20-12)11-21(3)19(23)7-5-16(22)14-4-6-17-18(10-14)25-9-8-24-17/h4,6,10H,5,7-9,11H2,1-3H3
InChIKeyZXACNFJNDKCTDM-UHFFFAOYSA-N
XLogP2.68
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide (CID 55641485) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide is Cc1noc(C)c1CN(C)C(=O)CCC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide?
The InChIKey is ZXACNFJNDKCTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12-15(13(2)26-20-12)11-21(3)19(23)7-5-16(22)14-4-6-17-18(10-14)25-9-8-24-17/h4,6,10H,5,7-9,11H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide has a molecular weight of 358.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 55641485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).