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

C18H16N2O5 — CID 51138522

IUPAC4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2onc(N)c2-c2cc(OC)c3c(c2)OCO3)cc1
InChIInChI=1S/C18H16N2O5/c1-21-12-5-3-10(4-6-12)16-15(18(19)20-25-16)11-7-13(22-2)17-14(8-11)23-9-24-17/h3-8H,9H2,1-2H3,(H2,19,20)
InChIKeyIKRQSCFDNOOBER-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.34
Rot. Bonds4

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

4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 51138522) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID51138522
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2onc(N)c2-c2cc(OC)c3c(c2)OCO3)cc1
InChIInChI=1S/C18H16N2O5/c1-21-12-5-3-10(4-6-12)16-15(18(19)20-25-16)11-7-13(22-2)17-14(8-11)23-9-24-17/h3-8H,9H2,1-2H3,(H2,19,20)
InChIKeyIKRQSCFDNOOBER-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 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine (CID 51138522) is 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine is COc1ccc(-c2onc(N)c2-c2cc(OC)c3c(c2)OCO3)cc1.
What is the InChIKey of 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is IKRQSCFDNOOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-21-12-5-3-10(4-6-12)16-15(18(19)20-25-16)11-7-13(22-2)17-14(8-11)23-9-24-17/h3-8H,9H2,1-2H3,(H2,19,20).
What are the key properties of 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine?
4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-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 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 51138522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).