(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

C10H11NO2 — CID 162348675

IUPAC(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc([C@@H]2CC=NO2)cc1
InChIInChI=1S/C10H11NO2/c1-12-9-4-2-8(3-5-9)10-6-7-11-13-10/h2-5,7,10H,6H2,1H3/t10-/m0/s1
InChIKeyIISKCXDXLLCNMQ-JTQLQIEISA-N
MW177.20 g/mol
LogP2.14
Rot. Bonds2

About (5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 162348675) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID162348675
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc([C@@H]2CC=NO2)cc1
InChIInChI=1S/C10H11NO2/c1-12-9-4-2-8(3-5-9)10-6-7-11-13-10/h2-5,7,10H,6H2,1H3/t10-/m0/s1
InChIKeyIISKCXDXLLCNMQ-JTQLQIEISA-N
XLogP2.14
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole
CID 162348676
(2R)-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran
CID 100966356
[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458829
2-methoxy-6-(4-methoxyphenyl)oxane
CID 68556423
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
(2S,5R)-2-(4-fluorophenyl)-5-(4-methoxyphenyl)oxolane
CID 11807821
(3S,4S,6R)-6-(4-methoxyphenyl)oxane-3,4-diol
CID 100945532
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole
CID 10414821
3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 53316962
6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 75528254
2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane
CID 18704700

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 162348675) is (5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is COc1ccc([C@@H]2CC=NO2)cc1.
What is the InChIKey of (5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is IISKCXDXLLCNMQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11NO2/c1-12-9-4-2-8(3-5-9)10-6-7-11-13-10/h2-5,7,10H,6H2,1H3/t10-/m0/s1.
What are the key properties of (5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 177.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 162348675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).