[5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol

C15H17NO4 — CID 54847413

IUPAC[5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(-c2ccccc2OCC2CCCO2)on1
InChIInChI=1S/C15H17NO4/c17-9-11-8-15(20-16-11)13-5-1-2-6-14(13)19-10-12-4-3-7-18-12/h1-2,5-6,8,12,17H,3-4,7,9-10H2
InChIKeyXXUVVTBCPTXBRK-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.39
Rot. Bonds5

About [5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol

[5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol (PubChem CID 54847413) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is [5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol
PubChem CID54847413
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name[5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(-c2ccccc2OCC2CCCO2)on1
InChIInChI=1S/C15H17NO4/c17-9-11-8-15(20-16-11)13-5-1-2-6-14(13)19-10-12-4-3-7-18-12/h1-2,5-6,8,12,17H,3-4,7,9-10H2
InChIKeyXXUVVTBCPTXBRK-UHFFFAOYSA-N
XLogP2.39
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
[6-(oxolan-2-ylmethoxy)pyridazin-3-yl]methanol
CID 61255499
4-[5-[2-(oxolan-2-ylmethoxy)phenyl]-1H-pyrazol-3-yl]aniline
CID 54853365
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676632
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 54787347
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-ol
CID 43503555
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol
CID 54803377

Frequently Asked Questions

What is the IUPAC name of [5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol (CID 54847413) is [5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol is OCc1cc(-c2ccccc2OCC2CCCO2)on1.
What is the InChIKey of [5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol?
The InChIKey is XXUVVTBCPTXBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-9-11-8-15(20-16-11)13-5-1-2-6-14(13)19-10-12-4-3-7-18-12/h1-2,5-6,8,12,17H,3-4,7,9-10H2.
What are the key properties of [5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol?
[5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol has a molecular weight of 275.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 54847413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).