4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole

C17H14N2O4 — CID 58177942

IUPAC4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
SMILESCOc1ccc(-c2conc2-c2cc(C)c3c(c2)OCO3)cn1
InChIInChI=1S/C17H14N2O4/c1-10-5-12(6-14-17(10)22-9-21-14)16-13(8-23-19-16)11-3-4-15(20-2)18-7-11/h3-8H,9H2,1-2H3
InChIKeyQWSCPJPGUOIJKC-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.45
Rot. Bonds3

About 4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole

4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole (PubChem CID 58177942) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
PubChem CID58177942
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
SMILESCOc1ccc(-c2conc2-c2cc(C)c3c(c2)OCO3)cn1
InChIInChI=1S/C17H14N2O4/c1-10-5-12(6-14-17(10)22-9-21-14)16-13(8-23-19-16)11-3-4-15(20-2)18-7-11/h3-8H,9H2,1-2H3
InChIKeyQWSCPJPGUOIJKC-UHFFFAOYSA-N
XLogP3.45
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Aminopyridine N-oxide, 52
CID 24744497
4-(6-Methoxy-3-pyridinyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 24761350
5-Methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 24761352
3-(1,3-Benzodioxol-5-yl)-4-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole
CID 24761353
3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methylisoxazole
CID 24761333
3-(1,3-Benzodioxol-5-yl)-4-(6-methoxy-3-pyridinyl)-5-thiophen-3-yl-1,2-oxazole
CID 25011571
7-(3,4-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole
CID 60148271
2-(1,3-benzodioxol-5-yl)-N,N-dimethylnicotinamide
CID 39814819
3-(3,4-Dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
CID 127041852
3-(Aminomethyl)-2-(1,3-benzodioxol-5-yl)indolizine-1-carboxylic acid
CID 137659648
5-[5-[2,6-Dimethyl-4-(2-pyridyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 15954769
5-[5-[2,6-Dimethyl-4-(3-pyridyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 15954777

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole (CID 58177942) is 4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole is COc1ccc(-c2conc2-c2cc(C)c3c(c2)OCO3)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole?
The InChIKey is QWSCPJPGUOIJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10-5-12(6-14-17(10)22-9-21-14)16-13(8-23-19-16)11-3-4-15(20-2)18-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole?
4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole has a molecular weight of 310.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-3-(7-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole is sourced from PubChem (CID 58177942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).