3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole

C11H13NO2 — CID 89241299

IUPAC3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOC1=NOC(c2ccc(C)cc2)C1
InChIInChI=1S/C11H13NO2/c1-8-3-5-9(6-4-8)10-7-11(13-2)12-14-10/h3-6,10H,7H2,1-2H3
InChIKeyPDMMYVALKRNKAG-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.42
Rot. Bonds1

About 3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole

3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 89241299) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID89241299
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOC1=NOC(c2ccc(C)cc2)C1
InChIInChI=1S/C11H13NO2/c1-8-3-5-9(6-4-8)10-7-11(13-2)12-14-10/h3-6,10H,7H2,1-2H3
InChIKeyPDMMYVALKRNKAG-UHFFFAOYSA-N
XLogP2.42
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]phenol
CID 143618145
5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
CID 159019718
5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole
CID 58126034
(5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 58126206
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
[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458829
(5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole
CID 58126076
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
(5R)-5-(4-phenylphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
CID 58126472
ethyl (5-phenyl-4,5-dihydro-1,2-oxazol-3-yl) carbonate
CID 23064923
bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 159921333
(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 58126595

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole (CID 89241299) is 3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole is COC1=NOC(c2ccc(C)cc2)C1.
What is the InChIKey of 3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is PDMMYVALKRNKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-3-5-9(6-4-8)10-7-11(13-2)12-14-10/h3-6,10H,7H2,1-2H3.
What are the key properties of 3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 191.23 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89241299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).