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

C15H11ClN2O2 — CID 68738009

IUPAC[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1conc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2/c16-12-5-3-10(4-6-12)14-13(9-20-18-14)15(19)11-2-1-7-17-8-11/h1-9,15,19H
InChIKeyVAFNUMUSZRMOLQ-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.47
Rot. Bonds3

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

[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 68738009) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID68738009
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1conc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2/c16-12-5-3-10(4-6-12)14-13(9-20-18-14)15(19)11-2-1-7-17-8-11/h1-9,15,19H
InChIKeyVAFNUMUSZRMOLQ-UHFFFAOYSA-N
XLogP3.47
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 68738009) is [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1conc1-c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is VAFNUMUSZRMOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-5-3-10(4-6-12)14-13(9-20-18-14)15(19)11-2-1-7-17-8-11/h1-9,15,19H.
What are the key properties of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 286.72 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 68738009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).