2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole

C8H6ClN3O2 — CID 165113601

IUPAC2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole
SMILESClc1ncc(OCc2ncco2)cn1
InChIInChI=1S/C8H6ClN3O2/c9-8-11-3-6(4-12-8)14-5-7-10-1-2-13-7/h1-4H,5H2
InChIKeyRGTVIVHJNJASGY-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.70
Rot. Bonds3

About 2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole

2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole (PubChem CID 165113601) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole
PubChem CID165113601
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole
SMILESClc1ncc(OCc2ncco2)cn1
InChIInChI=1S/C8H6ClN3O2/c9-8-11-3-6(4-12-8)14-5-7-10-1-2-13-7/h1-4H,5H2
InChIKeyRGTVIVHJNJASGY-UHFFFAOYSA-N
XLogP1.70
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 54360283
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CID 58646239
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CID 86656322
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole?
The IUPAC name of 2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole (CID 165113601) is 2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole?
The canonical SMILES for 2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole is Clc1ncc(OCc2ncco2)cn1.
What is the InChIKey of 2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole?
The InChIKey is RGTVIVHJNJASGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c9-8-11-3-6(4-12-8)14-5-7-10-1-2-13-7/h1-4H,5H2.
What are the key properties of 2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole?
2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole has a molecular weight of 211.61 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyrimidin-5-yl)oxymethyl]-1,3-oxazole is sourced from PubChem (CID 165113601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).