2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone

C13H11NO4 — CID 82294568

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H11NO4/c1-8-10(7-14-18-8)13(15)9-2-3-11-12(6-9)17-5-4-16-11/h2-3,6-7H,4-5H2,1H3
InChIKeyICNLZXDMYXFQBQ-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.99
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 82294568) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID82294568
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H11NO4/c1-8-10(7-14-18-8)13(15)9-2-3-11-12(6-9)17-5-4-16-11/h2-3,6-7H,4-5H2,1H3
InChIKeyICNLZXDMYXFQBQ-UHFFFAOYSA-N
XLogP1.99
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 43629621
(2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 106860734
(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 65360475
(5-methyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methanone
CID 82288411
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone
CID 115793344
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone
CID 766923
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone
CID 63840653
2,3-dihydro-1,4-benzodioxin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 79757453
2,3-dihydro-1,4-benzodioxin-6-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105094160
[24-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)methanone
CID 3265829
2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 103124427
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60786281

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone (CID 82294568) is 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is ICNLZXDMYXFQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-8-10(7-14-18-8)13(15)9-2-3-11-12(6-9)17-5-4-16-11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 245.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 82294568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).