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

C16H13N3O2 — CID 940115

IUPAC5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1cccc(-c2nc(C#N)c(NCc3ccco3)o2)c1
InChIInChI=1S/C16H13N3O2/c1-11-4-2-5-12(8-11)15-19-14(9-17)16(21-15)18-10-13-6-3-7-20-13/h2-8,18H,10H2,1H3
InChIKeyNERYIUYDDRORHT-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.73
Rot. Bonds4

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

5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 940115) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID940115
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1cccc(-c2nc(C#N)c(NCc3ccco3)o2)c1
InChIInChI=1S/C16H13N3O2/c1-11-4-2-5-12(8-11)15-19-14(9-17)16(21-15)18-10-13-6-3-7-20-13/h2-8,18H,10H2,1H3
InChIKeyNERYIUYDDRORHT-UHFFFAOYSA-N
XLogP3.73
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.73
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-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile (CID 940115) is 5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is Cc1cccc(-c2nc(C#N)c(NCc3ccco3)o2)c1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is NERYIUYDDRORHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-4-2-5-12(8-11)15-19-14(9-17)16(21-15)18-10-13-6-3-7-20-13/h2-8,18H,10H2,1H3.
What are the key properties of 5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
5-(furan-2-ylmethylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 3.73, 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-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 940115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).