5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole

C10H14ClNO2 — CID 130900973

IUPAC5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole
SMILESCc1nc(CC2CCOC2)oc1CCl
InChIInChI=1S/C10H14ClNO2/c1-7-9(5-11)14-10(12-7)4-8-2-3-13-6-8/h8H,2-6H2,1H3
InChIKeyRCZOKYXEKSRRFQ-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.30
Rot. Bonds3

About 5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole

5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole (PubChem CID 130900973) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole
PubChem CID130900973
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole
SMILESCc1nc(CC2CCOC2)oc1CCl
InChIInChI=1S/C10H14ClNO2/c1-7-9(5-11)14-10(12-7)4-8-2-3-13-6-8/h8H,2-6H2,1H3
InChIKeyRCZOKYXEKSRRFQ-UHFFFAOYSA-N
XLogP2.30
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
CID 131182892
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115077254
[4-methyl-2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987924
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 103988011
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082353
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082297
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085273
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077373
6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 113362255
4-(chloromethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 136886289
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
CID 115082311
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole (CID 130900973) is 5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole is Cc1nc(CC2CCOC2)oc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole?
The InChIKey is RCZOKYXEKSRRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7-9(5-11)14-10(12-7)4-8-2-3-13-6-8/h8H,2-6H2,1H3.
What are the key properties of 5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole?
5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole has a molecular weight of 215.68 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-(oxolan-3-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 130900973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).