[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

C22H17ClN2O3 — CID 59674963

IUPAC[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCOc1ccccc1-c1onc(-c2ccc(Cl)cc2)c1C(O)c1cccnc1
InChIInChI=1S/C22H17ClN2O3/c1-27-18-7-3-2-6-17(18)22-19(21(26)15-5-4-12-24-13-15)20(25-28-22)14-8-10-16(23)11-9-14/h2-13,21,26H,1H3
InChIKeyVDISDMWCEWVENF-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.15
Rot. Bonds5

About [3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 59674963) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID59674963
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCOc1ccccc1-c1onc(-c2ccc(Cl)cc2)c1C(O)c1cccnc1
InChIInChI=1S/C22H17ClN2O3/c1-27-18-7-3-2-6-17(18)22-19(21(26)15-5-4-12-24-13-15)20(25-28-22)14-8-10-16(23)11-9-14/h2-13,21,26H,1H3
InChIKeyVDISDMWCEWVENF-UHFFFAOYSA-N
XLogP5.15
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 59674963) is [3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is COc1ccccc1-c1onc(-c2ccc(Cl)cc2)c1C(O)c1cccnc1.
What is the InChIKey of [3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is VDISDMWCEWVENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-27-18-7-3-2-6-17(18)22-19(21(26)15-5-4-12-24-13-15)20(25-28-22)14-8-10-16(23)11-9-14/h2-13,21,26H,1H3.
What are the key properties of [3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 392.84 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 59674963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).