5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole

C18H15NO5 — CID 91973269

IUPAC5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2cc(OC)c3c(c2)OCO3)cc1
InChIInChI=1S/C18H15NO5/c1-20-13-5-3-11(4-6-13)14-9-19-24-17(14)12-7-15(21-2)18-16(8-12)22-10-23-18/h3-9H,10H2,1-2H3
InChIKeyHXQCDKFILURIQR-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.75
Rot. Bonds4

About 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole

5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 91973269) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole
PubChem CID91973269
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2cc(OC)c3c(c2)OCO3)cc1
InChIInChI=1S/C18H15NO5/c1-20-13-5-3-11(4-6-13)14-9-19-24-17(14)12-7-15(21-2)18-16(8-12)22-10-23-18/h3-9H,10H2,1-2H3
InChIKeyHXQCDKFILURIQR-UHFFFAOYSA-N
XLogP3.75
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-5-(5-(3,4,5-trimethoxyphenyl)isoxazol-4-yl)phenol
CID 15949283
2-Methoxy-5-[5-(3,4,5-trimethoxyphenyl)-4-isoxazolyl]aniline
CID 16721143
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)isoxazole
CID 44439006
4-(7-Methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 51138522
4-(7-Methoxy-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 76321341
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine
CID 76324944
4-(4-Methoxy-phenyl)-5-(3,4,5-trimethoxy-phenyl)-isoxazole
CID 44439004
4-(4-Methoxy-3-nitro-phenyl)-5-(3,4,5-trimethoxy-phenyl)-isoxazole
CID 44439005
4,5-Bis(3,4-dimethoxyphenyl)isoxazole
CID 373704
5-(4-Methoxyphenyl)-4-phenyl-1,2-oxazole
CID 13950184
3-(1,3-Benzodioxol-5-yl)-4-(4-fluoro-3-methoxyphenyl)-5-methylisoxazole
CID 24761325
2-Methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]phenol
CID 44439007

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole (CID 91973269) is 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2cnoc2-c2cc(OC)c3c(c2)OCO3)cc1.
What is the InChIKey of 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is HXQCDKFILURIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-20-13-5-3-11(4-6-13)14-9-19-24-17(14)12-7-15(21-2)18-16(8-12)22-10-23-18/h3-9H,10H2,1-2H3.
What are the key properties of 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 325.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 91973269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).