(5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole

C15H14FNOS — CID 89003842

IUPAC(5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](c2c(F)cccc2Cc2cccs2)C1
InChIInChI=1S/C15H14FNOS/c1-10-8-14(18-17-10)15-11(4-2-6-13(15)16)9-12-5-3-7-19-12/h2-7,14H,8-9H2,1H3/t14-/m1/s1
InChIKeyQJORQXXLTBTSLU-CQSZACIVSA-N
MW275.35 g/mol
LogP4.32
Rot. Bonds3

About (5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole

(5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 89003842) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is (5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID89003842
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name(5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](c2c(F)cccc2Cc2cccs2)C1
InChIInChI=1S/C15H14FNOS/c1-10-8-14(18-17-10)15-11(4-2-6-13(15)16)9-12-5-3-7-19-12/h2-7,14H,8-9H2,1H3/t14-/m1/s1
InChIKeyQJORQXXLTBTSLU-CQSZACIVSA-N
XLogP4.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole (CID 89003842) is (5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NO[C@@H](c2c(F)cccc2Cc2cccs2)C1.
What is the InChIKey of (5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is QJORQXXLTBTSLU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-10-8-14(18-17-10)15-11(4-2-6-13(15)16)9-12-5-3-7-19-12/h2-7,14H,8-9H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole?
(5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 275.35 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-fluoro-6-(thiophen-2-ylmethyl)phenyl]-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89003842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).