2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole

C17H14N2O4 — CID 118342199

IUPAC2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole
SMILESc1ccc(COCc2coc(-c3ccc4c(c3)OCO4)n2)nc1
InChIInChI=1S/C17H14N2O4/c1-2-6-18-13(3-1)8-20-9-14-10-21-17(19-14)12-4-5-15-16(7-12)23-11-22-15/h1-7,10H,8-9,11H2
InChIKeyBYAUNECDMIKOJE-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.18
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole

2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole (PubChem CID 118342199) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole
PubChem CID118342199
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole
SMILESc1ccc(COCc2coc(-c3ccc4c(c3)OCO4)n2)nc1
InChIInChI=1S/C17H14N2O4/c1-2-6-18-13(3-1)8-20-9-14-10-21-17(19-14)12-4-5-15-16(7-12)23-11-22-15/h1-7,10H,8-9,11H2
InChIKeyBYAUNECDMIKOJE-UHFFFAOYSA-N
XLogP3.18
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole 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

4-(1,3-benzodioxol-5-yloxymethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 31673534
4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
CID 34060939
2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine
CID 118342261
2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole
CID 118342245
2-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde
CID 53407581
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 32775074
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 63889462
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl pyridine-2-carboxylate
CID 51047444
2-(1,3-benzodioxol-5-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 22432368
[6-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 68758964
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111845073

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole (CID 118342199) is 2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole is c1ccc(COCc2coc(-c3ccc4c(c3)OCO4)n2)nc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole?
The InChIKey is BYAUNECDMIKOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-2-6-18-13(3-1)8-20-9-14-10-21-17(19-14)12-4-5-15-16(7-12)23-11-22-15/h1-7,10H,8-9,11H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole?
2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole has a molecular weight of 310.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole is sourced from PubChem (CID 118342199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).