2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile

C15H10FN3O2 — CID 854897

IUPAC2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccco1
InChIInChI=1S/C15H10FN3O2/c16-11-5-3-10(4-6-11)14-19-13(8-17)15(21-14)18-9-12-2-1-7-20-12/h1-7,18H,9H2
InChIKeyVVEZPFJZURCJQR-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.56
Rot. Bonds4

About 2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile

2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 854897) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID854897
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccco1
InChIInChI=1S/C15H10FN3O2/c16-11-5-3-10(4-6-11)14-19-13(8-17)15(21-14)18-9-12-2-1-7-20-12/h1-7,18H,9H2
InChIKeyVVEZPFJZURCJQR-UHFFFAOYSA-N
XLogP3.56
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (CID 854897) is 2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is VVEZPFJZURCJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-5-3-10(4-6-11)14-19-13(8-17)15(21-14)18-9-12-2-1-7-20-12/h1-7,18H,9H2.
What are the key properties of 2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 283.26 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 854897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).