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

C18H16N2O5 — CID 46949815

IUPAC3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3cc(OC)c4c(c3)OCO4)noc2N)cc1
InChIInChI=1S/C18H16N2O5/c1-21-12-5-3-10(4-6-12)15-16(20-25-18(15)19)11-7-13(22-2)17-14(8-11)23-9-24-17/h3-8H,9,19H2,1-2H3
InChIKeyVPMZPOXBAFWLGR-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.34
Rot. Bonds4

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

3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 46949815) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID46949815
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3cc(OC)c4c(c3)OCO4)noc2N)cc1
InChIInChI=1S/C18H16N2O5/c1-21-12-5-3-10(4-6-12)15-16(20-25-18(15)19)11-7-13(22-2)17-14(8-11)23-9-24-17/h3-8H,9,19H2,1-2H3
InChIKeyVPMZPOXBAFWLGR-UHFFFAOYSA-N
XLogP3.34
TPSA88.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (CID 46949815) is 3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is COc1ccc(-c2c(-c3cc(OC)c4c(c3)OCO4)noc2N)cc1.
What is the InChIKey of 3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is VPMZPOXBAFWLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-21-12-5-3-10(4-6-12)15-16(20-25-18(15)19)11-7-13(22-2)17-14(8-11)23-9-24-17/h3-8H,9,19H2,1-2H3.
What are the key properties of 3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 340.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 46949815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).