(5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine

C17H16FNO2 — CID 154714726

IUPAC(5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESCOc1ccc(C2OC(c3ccccc3)=NC[C@@H]2F)cc1
InChIInChI=1S/C17H16FNO2/c1-20-14-9-7-12(8-10-14)16-15(18)11-19-17(21-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16?/m0/s1
InChIKeyVAGXYAJYNYOKGM-VYRBHSGPSA-N
MW285.32 g/mol
LogP3.55
Rot. Bonds3

About (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine

(5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 154714726) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID154714726
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESCOc1ccc(C2OC(c3ccccc3)=NC[C@@H]2F)cc1
InChIInChI=1S/C17H16FNO2/c1-20-14-9-7-12(8-10-14)16-15(18)11-19-17(21-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16?/m0/s1
InChIKeyVAGXYAJYNYOKGM-VYRBHSGPSA-N
XLogP3.55
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-phenoxy-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 16747689
N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-(p-tolyloxy)propan-1-amine
CID 24947378
3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947570
N,N-Dimethyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine
CID 9957437
2-((4-Methoxyphenyl)phenylmethoxy)-N,N-dimethylethanamine
CID 10669
2-[(4-Ethoxyphenyl)methylideneamino]-1-phenylethanol
CID 3881447
2-(4-Methoxyphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547841
N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-(4-(trifluoromethyl)phenoxy)propan-1-amine
CID 24947199
2-(4-Methoxyphenyl)-2-oxazoline
CID 12333191
(S)-4-Isopropyl-2-(4-methoxyphenyl)-4,5-dihydrooxazole
CID 17756936
2-(4-Hexoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 53979108
N~1~,N~2~-bis[(4-methoxyphenyl)methylene]-1,2-ethanediamine
CID 224431

Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine (CID 154714726) is (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine is COc1ccc(C2OC(c3ccccc3)=NC[C@@H]2F)cc1.
What is the InChIKey of (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is VAGXYAJYNYOKGM-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-20-14-9-7-12(8-10-14)16-15(18)11-19-17(21-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16?/m0/s1.
What are the key properties of (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine?
(5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 285.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-fluoro-6-(4-methoxyphenyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 154714726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).