[3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol

C12H12Cl2N2O2 — CID 59321562

IUPAC[3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol
SMILESCC(C)c1onc(-c2c(Cl)ccnc2Cl)c1CO
InChIInChI=1S/C12H12Cl2N2O2/c1-6(2)11-7(5-17)10(16-18-11)9-8(13)3-4-15-12(9)14/h3-4,6,17H,5H2,1-2H3
InChIKeyKYKXRJCJSCLDDD-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.66
Rot. Bonds3

About [3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol

[3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol (PubChem CID 59321562) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is [3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol
PubChem CID59321562
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name[3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol
SMILESCC(C)c1onc(-c2c(Cl)ccnc2Cl)c1CO
InChIInChI=1S/C12H12Cl2N2O2/c1-6(2)11-7(5-17)10(16-18-11)9-8(13)3-4-15-12(9)14/h3-4,6,17H,5H2,1-2H3
InChIKeyKYKXRJCJSCLDDD-UHFFFAOYSA-N
XLogP3.66
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol (CID 59321562) is [3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol is CC(C)c1onc(-c2c(Cl)ccnc2Cl)c1CO.
What is the InChIKey of [3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol?
The InChIKey is KYKXRJCJSCLDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-6(2)11-7(5-17)10(16-18-11)9-8(13)3-4-15-12(9)14/h3-4,6,17H,5H2,1-2H3.
What are the key properties of [3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol?
[3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol has a molecular weight of 287.15 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichloro-3-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 59321562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).