5-chloro-3-(methoxymethyl)-1,2-oxazole

C5H6ClNO2 — CID 130537915

IUPAC5-chloro-3-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(Cl)on1
InChIInChI=1S/C5H6ClNO2/c1-8-3-4-2-5(6)9-7-4/h2H,3H2,1H3
InChIKeyYYEWDEVMGYBADR-UHFFFAOYSA-N
MW147.56 g/mol
LogP1.47
Rot. Bonds2

About 5-chloro-3-(methoxymethyl)-1,2-oxazole

5-chloro-3-(methoxymethyl)-1,2-oxazole (PubChem CID 130537915) has the molecular formula C5H6ClNO2 and a molecular weight of 147.56 g/mol. Its IUPAC name is 5-chloro-3-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-3-(methoxymethyl)-1,2-oxazole
PubChem CID130537915
Molecular FormulaC5H6ClNO2
Molecular Weight147.56 g/mol
Exact Mass147.01
IUPAC Name5-chloro-3-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(Cl)on1
InChIInChI=1S/C5H6ClNO2/c1-8-3-4-2-5(6)9-7-4/h2H,3H2,1H3
InChIKeyYYEWDEVMGYBADR-UHFFFAOYSA-N
XLogP1.47
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 5-chloro-3-(methoxymethyl)-1,2-oxazole (CID 130537915) is 5-chloro-3-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 5-chloro-3-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 5-chloro-3-(methoxymethyl)-1,2-oxazole is COCc1cc(Cl)on1.
What is the InChIKey of 5-chloro-3-(methoxymethyl)-1,2-oxazole?
The InChIKey is YYEWDEVMGYBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO2/c1-8-3-4-2-5(6)9-7-4/h2H,3H2,1H3.
What are the key properties of 5-chloro-3-(methoxymethyl)-1,2-oxazole?
5-chloro-3-(methoxymethyl)-1,2-oxazole has a molecular weight of 147.56 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 130537915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).