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

C13H17NO3 — CID 145467792

IUPAC[3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCOC(C)c1ccc(C2=NOC(CO)C2)cc1
InChIInChI=1S/C13H17NO3/c1-9(16-2)10-3-5-11(6-4-10)13-7-12(8-15)17-14-13/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyINKSPOXQVOLXHM-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.88
Rot. Bonds4

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

[3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 145467792) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID145467792
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCOC(C)c1ccc(C2=NOC(CO)C2)cc1
InChIInChI=1S/C13H17NO3/c1-9(16-2)10-3-5-11(6-4-10)13-7-12(8-15)17-14-13/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyINKSPOXQVOLXHM-UHFFFAOYSA-N
XLogP1.88
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 145468052
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 104823800
2-[3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 82295766
3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 59544906
[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 22022982
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
[(5R)-3-(4-bromo-3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 124581701
N-[[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 145467368
(5R)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562212
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide
CID 42669706

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 145467792) is [3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol is COC(C)c1ccc(C2=NOC(CO)C2)cc1.
What is the InChIKey of [3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is INKSPOXQVOLXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(16-2)10-3-5-11(6-4-10)13-7-12(8-15)17-14-13/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of [3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 235.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1-methoxyethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 145467792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).