5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile

C18H14N2O2 — CID 12764533

IUPAC5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile
SMILESCOc1ccc(-c2c(N)oc(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C18H14N2O2/c1-21-14-9-7-12(8-10-14)16-15(11-19)17(22-18(16)20)13-5-3-2-4-6-13/h2-10H,20H2,1H3
InChIKeyMOIMBBHETHDAPJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.08
Rot. Bonds3

About 5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile

5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile (PubChem CID 12764533) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile
PubChem CID12764533
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile
SMILESCOc1ccc(-c2c(N)oc(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C18H14N2O2/c1-21-14-9-7-12(8-10-14)16-15(11-19)17(22-18(16)20)13-5-3-2-4-6-13/h2-10H,20H2,1H3
InChIKeyMOIMBBHETHDAPJ-UHFFFAOYSA-N
XLogP4.08
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile?
The IUPAC name of 5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile (CID 12764533) is 5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile.
What is the SMILES notation for 5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile?
The canonical SMILES for 5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile is COc1ccc(-c2c(N)oc(-c3ccccc3)c2C#N)cc1.
What is the InChIKey of 5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile?
The InChIKey is MOIMBBHETHDAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-21-14-9-7-12(8-10-14)16-15(11-19)17(22-18(16)20)13-5-3-2-4-6-13/h2-10H,20H2,1H3.
What are the key properties of 5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile?
5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile has a molecular weight of 290.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-methoxyphenyl)-2-phenylfuran-3-carbonitrile is sourced from PubChem (CID 12764533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).