2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile

C16H13N3O2 — CID 1242435

IUPAC2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(CNc2oc(-c3ccco3)nc2C#N)cc1
InChIInChI=1S/C16H13N3O2/c1-11-4-6-12(7-5-11)10-18-15-13(9-17)19-16(21-15)14-3-2-8-20-14/h2-8,18H,10H2,1H3
InChIKeyACBYJFCNROZCTO-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.73
Rot. Bonds4

About 2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile

2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile (PubChem CID 1242435) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
PubChem CID1242435
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(CNc2oc(-c3ccco3)nc2C#N)cc1
InChIInChI=1S/C16H13N3O2/c1-11-4-6-12(7-5-11)10-18-15-13(9-17)19-16(21-15)14-3-2-8-20-14/h2-8,18H,10H2,1H3
InChIKeyACBYJFCNROZCTO-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 2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile (CID 1242435) is 2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile is Cc1ccc(CNc2oc(-c3ccco3)nc2C#N)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile?
The InChIKey is ACBYJFCNROZCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-4-6-12(7-5-11)10-18-15-13(9-17)19-16(21-15)14-3-2-8-20-14/h2-8,18H,10H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-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 2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 1242435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).