5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile

C17H15N3O4 — CID 661465

IUPAC5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1OCc1nc(C#N)c(NCc2ccco2)o1
InChIInChI=1S/C17H15N3O4/c1-21-14-6-2-3-7-15(14)23-11-16-20-13(9-18)17(24-16)19-10-12-5-4-8-22-12/h2-8,19H,10-11H2,1H3
InChIKeyWXXUBVJXWOWAHL-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.34
Rot. Bonds7

About 5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile

5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile (PubChem CID 661465) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
PubChem CID661465
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1OCc1nc(C#N)c(NCc2ccco2)o1
InChIInChI=1S/C17H15N3O4/c1-21-14-6-2-3-7-15(14)23-11-16-20-13(9-18)17(24-16)19-10-12-5-4-8-22-12/h2-8,19H,10-11H2,1H3
InChIKeyWXXUBVJXWOWAHL-UHFFFAOYSA-N
XLogP3.34
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile (CID 661465) is 5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile is COc1ccccc1OCc1nc(C#N)c(NCc2ccco2)o1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is WXXUBVJXWOWAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-21-14-6-2-3-7-15(14)23-11-16-20-13(9-18)17(24-16)19-10-12-5-4-8-22-12/h2-8,19H,10-11H2,1H3.
What are the key properties of 5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 325.32 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).