5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile

C17H14N4O — CID 5219427

IUPAC5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(CNc2ccccc2)oc1Nc1ccccc1
InChIInChI=1S/C17H14N4O/c18-11-15-17(20-14-9-5-2-6-10-14)22-16(21-15)12-19-13-7-3-1-4-8-13/h1-10,19-20H,12H2
InChIKeyFXNNKGVVLZTPKL-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.90
Rot. Bonds5

About 5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile

5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 5219427) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile
PubChem CID5219427
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(CNc2ccccc2)oc1Nc1ccccc1
InChIInChI=1S/C17H14N4O/c18-11-15-17(20-14-9-5-2-6-10-14)22-16(21-15)12-19-13-7-3-1-4-8-13/h1-10,19-20H,12H2
InChIKeyFXNNKGVVLZTPKL-UHFFFAOYSA-N
XLogP3.90
TPSA73.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile (CID 5219427) is 5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(CNc2ccccc2)oc1Nc1ccccc1.
What is the InChIKey of 5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is FXNNKGVVLZTPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-11-15-17(20-14-9-5-2-6-10-14)22-16(21-15)12-19-13-7-3-1-4-8-13/h1-10,19-20H,12H2.
What are the key properties of 5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile?
5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 290.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 5219427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).