2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol

C11H11ClN2O2 — CID 58979003

IUPAC2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol
SMILESCc1oc(-c2ccc(Cl)nc2)nc1CCO
InChIInChI=1S/C11H11ClN2O2/c1-7-9(4-5-15)14-11(16-7)8-2-3-10(12)13-6-8/h2-3,6,15H,4-5H2,1H3
InChIKeyABPFFIRRFOVZKD-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.23
Rot. Bonds3

About 2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol

2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol (PubChem CID 58979003) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol
PubChem CID58979003
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol
SMILESCc1oc(-c2ccc(Cl)nc2)nc1CCO
InChIInChI=1S/C11H11ClN2O2/c1-7-9(4-5-15)14-11(16-7)8-2-3-10(12)13-6-8/h2-3,6,15H,4-5H2,1H3
InChIKeyABPFFIRRFOVZKD-UHFFFAOYSA-N
XLogP2.23
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.23
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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Related Compounds

[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate
CID 174640185
2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol
CID 82220028
2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol
CID 142910946
tert-butyl 3-[4-[2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-(3-oxo-3-propan-2-yloxypropyl)phenyl]propanoate
CID 87744276
2-[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]ethanol
CID 25147932
2-[2-(2,3,4,5,6-pentadeuteriophenyl)-5-(trideuteriomethyl)-1,3-oxazol-4-yl]ethanol
CID 171571769
ethyl 2-[2-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384723
2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole
CID 59026488
2-(4-bromophenyl)-4-(2-iodoethyl)-5-methyl-1,3-oxazole
CID 58951394
4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline
CID 82087527
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110423975
4-(5-bromopentyl)-5-methyl-2-phenyl-1,3-oxazole;5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)pentan-1-ol
CID 159710828

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol (CID 58979003) is 2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol is Cc1oc(-c2ccc(Cl)nc2)nc1CCO.
What is the InChIKey of 2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol?
The InChIKey is ABPFFIRRFOVZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7-9(4-5-15)14-11(16-7)8-2-3-10(12)13-6-8/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol?
2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol has a molecular weight of 238.67 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 58979003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).