4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline

C15H14N2O — CID 89120771

IUPAC4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
SMILESNc1ccc(C2COC(c3ccccc3)=N2)cc1
InChIInChI=1S/C15H14N2O/c16-13-8-6-11(7-9-13)14-10-18-15(17-14)12-4-2-1-3-5-12/h1-9,14H,10,16H2
InChIKeyOKCBUXQMNXJQDQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.79
Rot. Bonds2

About 4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline

4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline (PubChem CID 89120771) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound Name4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
PubChem CID89120771
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
SMILESNc1ccc(C2COC(c3ccccc3)=N2)cc1
InChIInChI=1S/C15H14N2O/c16-13-8-6-11(7-9-13)14-10-18-15(17-14)12-4-2-1-3-5-12/h1-9,14H,10,16H2
InChIKeyOKCBUXQMNXJQDQ-UHFFFAOYSA-N
XLogP2.79
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline?
The IUPAC name of 4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline (CID 89120771) is 4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for 4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline?
The canonical SMILES for 4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline is Nc1ccc(C2COC(c3ccccc3)=N2)cc1.
What is the InChIKey of 4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline?
The InChIKey is OKCBUXQMNXJQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-13-8-6-11(7-9-13)14-10-18-15(17-14)12-4-2-1-3-5-12/h1-9,14H,10,16H2.
What are the key properties of 4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline?
4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline has a molecular weight of 238.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 89120771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).