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

C15H13FN2O — CID 162625183

IUPAC4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
SMILESNc1ccc(F)cc1C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C15H13FN2O/c16-11-6-7-13(17)12(8-11)15-18-14(9-19-15)10-4-2-1-3-5-10/h1-8,14H,9,17H2/t14-/m1/s1
InChIKeyDPDMHPRHRQGXTG-CQSZACIVSA-N
MW256.28 g/mol
LogP2.93
Rot. Bonds2

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

4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline (PubChem CID 162625183) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
PubChem CID162625183
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
SMILESNc1ccc(F)cc1C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C15H13FN2O/c16-11-6-7-13(17)12(8-11)15-18-14(9-19-15)10-4-2-1-3-5-10/h1-8,14H,9,17H2/t14-/m1/s1
InChIKeyDPDMHPRHRQGXTG-CQSZACIVSA-N
XLogP2.93
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(p-Phenylazophenyl)-2-oxazoline
CID 293475
2-(4-Aminophenyl)-2-oxazoline
CID 423937
2-[(4S)-4,5-Dihydro-4-(1-methylethyl)-2-oxazolyl]-N-{2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]phenyl}benzenamine
CID 10916509
2-(2-Nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414815
2-(2-Fluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414846
2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)aniline
CID 10583839
2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline
CID 10702136
2-Phenyl-4H-3,1-benzoxazine
CID 10998271
N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)aniline
CID 85314388
4-(4-Fluorophenyl)-2-phenyl-4,5-dihydrooxazole
CID 101796543
2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-N-(2-fluorophenyl)-aniline
CID 129855615
4-Fluoro-2-[(4s)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]-aniline
CID 162625163

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The IUPAC name of 4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline (CID 162625183) is 4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline.
What is the SMILES notation for 4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The canonical SMILES for 4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline is Nc1ccc(F)cc1C1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of 4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The InChIKey is DPDMHPRHRQGXTG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-11-6-7-13(17)12(8-11)15-18-14(9-19-15)10-4-2-1-3-5-10/h1-8,14H,9,17H2/t14-/m1/s1.
What are the key properties of 4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline has a molecular weight of 256.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]aniline is sourced from PubChem (CID 162625183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).