4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole

C12H11NO3 — CID 82127137

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc3c(c2)OCCO3)co1
InChIInChI=1S/C12H11NO3/c1-8-13-10(7-16-8)9-2-3-11-12(6-9)15-5-4-14-11/h2-3,6-7H,4-5H2,1H3
InChIKeyHNJPXBXBWZBALL-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.42
Rot. Bonds1

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole (PubChem CID 82127137) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole
PubChem CID82127137
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc3c(c2)OCCO3)co1
InChIInChI=1S/C12H11NO3/c1-8-13-10(7-16-8)9-2-3-11-12(6-9)15-5-4-14-11/h2-3,6-7H,4-5H2,1H3
InChIKeyHNJPXBXBWZBALL-UHFFFAOYSA-N
XLogP2.42
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-oxazole
CID 102974620
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine
CID 82295111
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 116897223
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192466
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
CID 2620938
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583083
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole
CID 147188821
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazole
CID 82115637
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole (CID 82127137) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole is Cc1nc(-c2ccc3c(c2)OCCO3)co1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole?
The InChIKey is HNJPXBXBWZBALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-13-10(7-16-8)9-2-3-11-12(6-9)15-5-4-14-11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole has a molecular weight of 217.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 82127137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).