5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile

C16H10F2N4O — CID 59587450

IUPAC5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2c(F)cccc2F)oc1Nc1ccc(N)cc1
InChIInChI=1S/C16H10F2N4O/c17-11-2-1-3-12(18)14(11)16-22-13(8-19)15(23-16)21-10-6-4-9(20)5-7-10/h1-7,21H,20H2
InChIKeyDREFHYCOIYVALT-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.82
Rot. Bonds3

About 5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile

5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 59587450) has the molecular formula C16H10F2N4O and a molecular weight of 312.28 g/mol. Its IUPAC name is 5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile
PubChem CID59587450
Molecular FormulaC16H10F2N4O
Molecular Weight312.28 g/mol
Exact Mass312.08
IUPAC Name5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2c(F)cccc2F)oc1Nc1ccc(N)cc1
InChIInChI=1S/C16H10F2N4O/c17-11-2-1-3-12(18)14(11)16-22-13(8-19)15(23-16)21-10-6-4-9(20)5-7-10/h1-7,21H,20H2
InChIKeyDREFHYCOIYVALT-UHFFFAOYSA-N
XLogP3.82
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile (CID 59587450) is 5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2c(F)cccc2F)oc1Nc1ccc(N)cc1.
What is the InChIKey of 5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is DREFHYCOIYVALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O/c17-11-2-1-3-12(18)14(11)16-22-13(8-19)15(23-16)21-10-6-4-9(20)5-7-10/h1-7,21H,20H2.
What are the key properties of 5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile?
5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 312.28 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 59587450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).