2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole

C8H10ClNO3 — CID 66929040

IUPAC2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole
SMILESCC1(c2cnc(CCl)o2)OCCO1
InChIInChI=1S/C8H10ClNO3/c1-8(11-2-3-12-8)6-5-10-7(4-9)13-6/h5H,2-4H2,1H3
InChIKeyLDTKORGWDSYYJN-UHFFFAOYSA-N
MW203.62 g/mol
LogP1.63
Rot. Bonds2

About 2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole

2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole (PubChem CID 66929040) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole
PubChem CID66929040
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole
SMILESCC1(c2cnc(CCl)o2)OCCO1
InChIInChI=1S/C8H10ClNO3/c1-8(11-2-3-12-8)6-5-10-7(4-9)13-6/h5H,2-4H2,1H3
InChIKeyLDTKORGWDSYYJN-UHFFFAOYSA-N
XLogP1.63
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole (CID 66929040) is 2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole is CC1(c2cnc(CCl)o2)OCCO1.
What is the InChIKey of 2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole?
The InChIKey is LDTKORGWDSYYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3/c1-8(11-2-3-12-8)6-5-10-7(4-9)13-6/h5H,2-4H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole?
2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole has a molecular weight of 203.62 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(2-methyl-1,3-dioxolan-2-yl)-1,3-oxazole is sourced from PubChem (CID 66929040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).