5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole

C12H19NO4 — CID 123851875

IUPAC5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole
SMILESCc1cc(COCCOCC2(C)COC2)no1
InChIInChI=1S/C12H19NO4/c1-10-5-11(13-17-10)6-14-3-4-15-7-12(2)8-16-9-12/h5H,3-4,6-9H2,1-2H3
InChIKeyPUNOJVIKFJTZFV-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.55
Rot. Bonds7

About 5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole

5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole (PubChem CID 123851875) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole
PubChem CID123851875
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole
SMILESCc1cc(COCCOCC2(C)COC2)no1
InChIInChI=1S/C12H19NO4/c1-10-5-11(13-17-10)6-14-3-4-15-7-12(2)8-16-9-12/h5H,3-4,6-9H2,1-2H3
InChIKeyPUNOJVIKFJTZFV-UHFFFAOYSA-N
XLogP1.55
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole (CID 123851875) is 5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole is Cc1cc(COCCOCC2(C)COC2)no1.
What is the InChIKey of 5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole?
The InChIKey is PUNOJVIKFJTZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-10-5-11(13-17-10)6-14-3-4-15-7-12(2)8-16-9-12/h5H,3-4,6-9H2,1-2H3.
What are the key properties of 5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole?
5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole has a molecular weight of 241.29 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[(3-methyloxetan-3-yl)methoxy]ethoxymethyl]-1,2-oxazole is sourced from PubChem (CID 123851875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).