[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

C11H13NO3 — CID 11310285

IUPAC[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCOc1ccc(C2=NOC(CO)C2)cc1
InChIInChI=1S/C11H13NO3/c1-14-9-4-2-8(3-5-9)11-6-10(7-13)15-12-11/h2-5,10,13H,6-7H2,1H3
InChIKeyVLLYRDLFJWFLGB-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.18
Rot. Bonds3

About [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 11310285) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID11310285
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCOc1ccc(C2=NOC(CO)C2)cc1
InChIInChI=1S/C11H13NO3/c1-14-9-4-2-8(3-5-9)11-6-10(7-13)15-12-11/h2-5,10,13H,6-7H2,1H3
InChIKeyVLLYRDLFJWFLGB-UHFFFAOYSA-N
XLogP1.18
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
(5R)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562212
2-[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetonitrile
CID 51674838
(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562323
[3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 145467792
5-but-3-enyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 86058522
(5R)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71562094
(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562209
N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methylpropanamide
CID 24715443
(1R)-1-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668477
2,2,2-trifluoro-N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 51689111

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 11310285) is [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is COc1ccc(C2=NOC(CO)C2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is VLLYRDLFJWFLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-9-4-2-8(3-5-9)11-6-10(7-13)15-12-11/h2-5,10,13H,6-7H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 207.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 11310285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).