4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline

C16H15N3O — CID 59230255

IUPAC4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline
SMILESNc1ccc(CNc2ccc(-c3ncco3)cc2)cc1
InChIInChI=1S/C16H15N3O/c17-14-5-1-12(2-6-14)11-19-15-7-3-13(4-8-15)16-18-9-10-20-16/h1-10,19H,11,17H2
InChIKeyFHGCTKKETPTWQB-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.54
Rot. Bonds4

About 4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline

4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline (PubChem CID 59230255) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline.

Molecular Properties

Compound Name4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline
PubChem CID59230255
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline
SMILESNc1ccc(CNc2ccc(-c3ncco3)cc2)cc1
InChIInChI=1S/C16H15N3O/c17-14-5-1-12(2-6-14)11-19-15-7-3-13(4-8-15)16-18-9-10-20-16/h1-10,19H,11,17H2
InChIKeyFHGCTKKETPTWQB-UHFFFAOYSA-N
XLogP3.54
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline?
The IUPAC name of 4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline (CID 59230255) is 4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline.
What is the SMILES notation for 4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline?
The canonical SMILES for 4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline is Nc1ccc(CNc2ccc(-c3ncco3)cc2)cc1.
What is the InChIKey of 4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline?
The InChIKey is FHGCTKKETPTWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-14-5-1-12(2-6-14)11-19-15-7-3-13(4-8-15)16-18-9-10-20-16/h1-10,19H,11,17H2.
What are the key properties of 4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline?
4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline has a molecular weight of 265.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline is sourced from PubChem (CID 59230255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).