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

C12H11ClN2O3 — CID 174640185

IUPAC[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate
SMILESCC(=O)OCc1nc(-c2ccc(Cl)nc2)oc1C
InChIInChI=1S/C12H11ClN2O3/c1-7-10(6-17-8(2)16)15-12(18-7)9-3-4-11(13)14-5-9/h3-5H,6H2,1-2H3
InChIKeyDYJSBYTUJDKPPH-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.76
Rot. Bonds3

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

[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate (PubChem CID 174640185) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate
PubChem CID174640185
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate
SMILESCC(=O)OCc1nc(-c2ccc(Cl)nc2)oc1C
InChIInChI=1S/C12H11ClN2O3/c1-7-10(6-17-8(2)16)15-12(18-7)9-3-4-11(13)14-5-9/h3-5H,6H2,1-2H3
InChIKeyDYJSBYTUJDKPPH-UHFFFAOYSA-N
XLogP2.76
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol
CID 58979003
ethyl 2-[2-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384723
[4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]phenyl] acetate
CID 69217279
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-acetyloxyphenyl)benzoate
CID 16588848
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3,4-dichlorobenzoate
CID 16588714
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate
CID 174457972
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 16612344
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16588456
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110423975
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
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
CID 16611239
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766

Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate?
The IUPAC name of [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate (CID 174640185) is [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate.
What is the SMILES notation for [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate?
The canonical SMILES for [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate is CC(=O)OCc1nc(-c2ccc(Cl)nc2)oc1C.
What is the InChIKey of [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate?
The InChIKey is DYJSBYTUJDKPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-7-10(6-17-8(2)16)15-12(18-7)9-3-4-11(13)14-5-9/h3-5H,6H2,1-2H3.
What are the key properties of [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate?
[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate has a molecular weight of 266.68 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]methyl acetate is sourced from PubChem (CID 174640185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).