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

C15H11N3O2 — CID 701008

IUPAC5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1NCc1ccco1
InChIInChI=1S/C15H11N3O2/c16-9-13-15(17-10-12-7-4-8-19-12)20-14(18-13)11-5-2-1-3-6-11/h1-8,17H,10H2
InChIKeyYJZZNAHNXAVRCS-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.42
Rot. Bonds4

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

5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile (PubChem CID 701008) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
PubChem CID701008
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1NCc1ccco1
InChIInChI=1S/C15H11N3O2/c16-9-13-15(17-10-12-7-4-8-19-12)20-14(18-13)11-5-2-1-3-6-11/h1-8,17H,10H2
InChIKeyYJZZNAHNXAVRCS-UHFFFAOYSA-N
XLogP3.42
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile (CID 701008) is 5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2)oc1NCc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile?
The InChIKey is YJZZNAHNXAVRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c16-9-13-15(17-10-12-7-4-8-19-12)20-14(18-13)11-5-2-1-3-6-11/h1-8,17H,10H2.
What are the key properties of 5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile?
5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile has a molecular weight of 265.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 701008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).