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

C15H14N2O — CID 101254237

IUPAC2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
SMILESNc1ccccc1C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C15H14N2O/c16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h1-9,14H,10,16H2/t14-/m1/s1
InChIKeyUSNRYBPPOQLMAB-CQSZACIVSA-N
MW238.29 g/mol
LogP2.79
Rot. Bonds2

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

2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline (PubChem CID 101254237) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline.

Molecular Properties

Compound Name2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
PubChem CID101254237
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
SMILESNc1ccccc1C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C15H14N2O/c16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h1-9,14H,10,16H2/t14-/m1/s1
InChIKeyUSNRYBPPOQLMAB-CQSZACIVSA-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 2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The IUPAC name of 2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline (CID 101254237) is 2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline.
What is the SMILES notation for 2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The canonical SMILES for 2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline is Nc1ccccc1C1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of 2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The InChIKey is USNRYBPPOQLMAB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14N2O/c16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h1-9,14H,10,16H2/t14-/m1/s1.
What are the key properties of 2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-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 2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline is sourced from PubChem (CID 101254237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).