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

C19H19ClN2O2 — CID 70868847

IUPAC[5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCCCCc1onc(-c2ccc(Cl)cc2)c1C(O)c1cccnc1
InChIInChI=1S/C19H19ClN2O2/c1-2-3-6-16-17(19(23)14-5-4-11-21-12-14)18(22-24-16)13-7-9-15(20)10-8-13/h4-5,7-12,19,23H,2-3,6H2,1H3
InChIKeyDYMHWWYJJHJVLU-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.81
Rot. Bonds6

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

[5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 70868847) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is [5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID70868847
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name[5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCCCCc1onc(-c2ccc(Cl)cc2)c1C(O)c1cccnc1
InChIInChI=1S/C19H19ClN2O2/c1-2-3-6-16-17(19(23)14-5-4-11-21-12-14)18(22-24-16)13-7-9-15(20)10-8-13/h4-5,7-12,19,23H,2-3,6H2,1H3
InChIKeyDYMHWWYJJHJVLU-UHFFFAOYSA-N
XLogP4.81
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 70868847) is [5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is CCCCc1onc(-c2ccc(Cl)cc2)c1C(O)c1cccnc1.
What is the InChIKey of [5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is DYMHWWYJJHJVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-2-3-6-16-17(19(23)14-5-4-11-21-12-14)18(22-24-16)13-7-9-15(20)10-8-13/h4-5,7-12,19,23H,2-3,6H2,1H3.
What are the key properties of [5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 342.83 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-3-(4-chlorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 70868847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).