(4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole

C16H14FNO2 — CID 146025905

IUPAC(4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc([C@@H]2COC(c3ccccc3)=N2)cc1F
InChIInChI=1S/C16H14FNO2/c1-19-15-8-7-12(9-13(15)17)14-10-20-16(18-14)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3/t14-/m0/s1
InChIKeyBWIHVDZZLMUFCZ-AWEZNQCLSA-N
MW271.29 g/mol
LogP3.35
Rot. Bonds3

About (4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole

(4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 146025905) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID146025905
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc([C@@H]2COC(c3ccccc3)=N2)cc1F
InChIInChI=1S/C16H14FNO2/c1-19-15-8-7-12(9-13(15)17)14-10-20-16(18-14)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3/t14-/m0/s1
InChIKeyBWIHVDZZLMUFCZ-AWEZNQCLSA-N
XLogP3.35
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 146025905) is (4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is COc1ccc([C@@H]2COC(c3ccccc3)=N2)cc1F.
What is the InChIKey of (4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is BWIHVDZZLMUFCZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-19-15-8-7-12(9-13(15)17)14-10-20-16(18-14)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3/t14-/m0/s1.
What are the key properties of (4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
(4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 271.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-fluoro-4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 146025905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).