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

C12H12Cl2N2O2 — CID 87652348

IUPAC[3-(2,4-dichloro-3-pyridinyl)-5-propyl-1,2-oxazol-4-yl]methanol
SMILESCCCc1onc(-c2c(Cl)ccnc2Cl)c1CO
InChIInChI=1S/C12H12Cl2N2O2/c1-2-3-9-7(6-17)11(16-18-9)10-8(13)4-5-15-12(10)14/h4-5,17H,2-3,6H2,1H3
InChIKeyQJQGZLJAQGKIGD-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.49
Rot. Bonds4

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

[3-(2,4-dichloro-3-pyridinyl)-5-propyl-1,2-oxazol-4-yl]methanol (PubChem CID 87652348) 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-propyl-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,4-dichloro-3-pyridinyl)-5-propyl-1,2-oxazol-4-yl]methanol
PubChem CID87652348
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name[3-(2,4-dichloro-3-pyridinyl)-5-propyl-1,2-oxazol-4-yl]methanol
SMILESCCCc1onc(-c2c(Cl)ccnc2Cl)c1CO
InChIInChI=1S/C12H12Cl2N2O2/c1-2-3-9-7(6-17)11(16-18-9)10-8(13)4-5-15-12(10)14/h4-5,17H,2-3,6H2,1H3
InChIKeyQJQGZLJAQGKIGD-UHFFFAOYSA-N
XLogP3.49
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.49
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-propyl-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,4-dichloro-3-pyridinyl)-5-propyl-1,2-oxazol-4-yl]methanol (CID 87652348) is [3-(2,4-dichloro-3-pyridinyl)-5-propyl-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,4-dichloro-3-pyridinyl)-5-propyl-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,4-dichloro-3-pyridinyl)-5-propyl-1,2-oxazol-4-yl]methanol is CCCc1onc(-c2c(Cl)ccnc2Cl)c1CO.
What is the InChIKey of [3-(2,4-dichloro-3-pyridinyl)-5-propyl-1,2-oxazol-4-yl]methanol?
The InChIKey is QJQGZLJAQGKIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-2-3-9-7(6-17)11(16-18-9)10-8(13)4-5-15-12(10)14/h4-5,17H,2-3,6H2,1H3.
What are the key properties of [3-(2,4-dichloro-3-pyridinyl)-5-propyl-1,2-oxazol-4-yl]methanol?
[3-(2,4-dichloro-3-pyridinyl)-5-propyl-1,2-oxazol-4-yl]methanol has a molecular weight of 287.15 g/mol, XLogP of 3.49, 4 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-propyl-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 87652348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).