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

C17H15N3O3 — CID 649571

IUPAC5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2nc(C#N)c(NCc3ccco3)o2)cc1
InChIInChI=1S/C17H15N3O3/c1-12-4-6-13(7-5-12)22-11-16-20-15(9-18)17(23-16)19-10-14-3-2-8-21-14/h2-8,19H,10-11H2,1H3
InChIKeyBZSSZWFPHGCRDY-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.64
Rot. Bonds6

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

5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile (PubChem CID 649571) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
PubChem CID649571
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2nc(C#N)c(NCc3ccco3)o2)cc1
InChIInChI=1S/C17H15N3O3/c1-12-4-6-13(7-5-12)22-11-16-20-15(9-18)17(23-16)19-10-14-3-2-8-21-14/h2-8,19H,10-11H2,1H3
InChIKeyBZSSZWFPHGCRDY-UHFFFAOYSA-N
XLogP3.64
TPSA84.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile (CID 649571) is 5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile is Cc1ccc(OCc2nc(C#N)c(NCc3ccco3)o2)cc1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is BZSSZWFPHGCRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12-4-6-13(7-5-12)22-11-16-20-15(9-18)17(23-16)19-10-14-3-2-8-21-14/h2-8,19H,10-11H2,1H3.
What are the key properties of 5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 649571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).