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

C12H13NO3 — CID 5200457

IUPAC[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol
SMILESCCOc1ccc(-c2cc(CO)on2)cc1
InChIInChI=1S/C12H13NO3/c1-2-15-10-5-3-9(4-6-10)12-7-11(8-14)16-13-12/h3-7,14H,2,8H2,1H3
InChIKeyHYPWVAJJDGNLCV-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.23
Rot. Bonds4

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

[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol (PubChem CID 5200457) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is [3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol
PubChem CID5200457
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol
SMILESCCOc1ccc(-c2cc(CO)on2)cc1
InChIInChI=1S/C12H13NO3/c1-2-15-10-5-3-9(4-6-10)12-7-11(8-14)16-13-12/h3-7,14H,2,8H2,1H3
InChIKeyHYPWVAJJDGNLCV-UHFFFAOYSA-N
XLogP2.23
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol (CID 5200457) is [3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol is CCOc1ccc(-c2cc(CO)on2)cc1.
What is the InChIKey of [3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol?
The InChIKey is HYPWVAJJDGNLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-15-10-5-3-9(4-6-10)12-7-11(8-14)16-13-12/h3-7,14H,2,8H2,1H3.
What are the key properties of [3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol?
[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol has a molecular weight of 219.24 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 5200457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).