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

C20H21NO3 — CID 71624784

IUPAC[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol
SMILESCCOc1cc(-c2c(C)noc2C)cc(C(O)c2ccccc2)c1
InChIInChI=1S/C20H21NO3/c1-4-23-18-11-16(19-13(2)21-24-14(19)3)10-17(12-18)20(22)15-8-6-5-7-9-15/h5-12,20,22H,4H2,1-3H3
InChIKeyYJOGWEAGBDOZON-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.44
Rot. Bonds5

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

[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol (PubChem CID 71624784) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol.

Molecular Properties

Compound Name[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol
PubChem CID71624784
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol
SMILESCCOc1cc(-c2c(C)noc2C)cc(C(O)c2ccccc2)c1
InChIInChI=1S/C20H21NO3/c1-4-23-18-11-16(19-13(2)21-24-14(19)3)10-17(12-18)20(22)15-8-6-5-7-9-15/h5-12,20,22H,4H2,1-3H3
InChIKeyYJOGWEAGBDOZON-UHFFFAOYSA-N
XLogP4.44
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol?
The IUPAC name of [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol (CID 71624784) is [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol.
What is the SMILES notation for [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol?
The canonical SMILES for [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol is CCOc1cc(-c2c(C)noc2C)cc(C(O)c2ccccc2)c1.
What is the InChIKey of [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol?
The InChIKey is YJOGWEAGBDOZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-23-18-11-16(19-13(2)21-24-14(19)3)10-17(12-18)20(22)15-8-6-5-7-9-15/h5-12,20,22H,4H2,1-3H3.
What are the key properties of [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol?
[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol has a molecular weight of 323.39 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]-phenylmethanol is sourced from PubChem (CID 71624784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).