3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole

C9H14N2O3 — CID 66191333

IUPAC3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(COC2CNC2)no1
InChIInChI=1S/C9H14N2O3/c1-12-6-8-2-7(11-14-8)5-13-9-3-10-4-9/h2,9-10H,3-6H2,1H3
InChIKeyDHYQDSMRHUWYDM-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.31
Rot. Bonds5

About 3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole

3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole (PubChem CID 66191333) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole
PubChem CID66191333
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(COC2CNC2)no1
InChIInChI=1S/C9H14N2O3/c1-12-6-8-2-7(11-14-8)5-13-9-3-10-4-9/h2,9-10H,3-6H2,1H3
InChIKeyDHYQDSMRHUWYDM-UHFFFAOYSA-N
XLogP0.31
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanol
CID 106825219
O-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]hydroxylamine
CID 79427575
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxymethyl]morpholine
CID 114468442
5-(methoxymethyl)-3-(piperidin-4-ylmethoxymethyl)-1,2-oxazole
CID 66190537
[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine
CID 66188763
5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole
CID 19958847
3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 66158008
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol
CID 82691821
3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole
CID 80643447
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
CID 66189164
5-(azetidin-3-yloxymethyl)-1,2-oxazole
CID 63105327
CID 58544128
CID 58544128

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole (CID 66191333) is 3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole is COCc1cc(COC2CNC2)no1.
What is the InChIKey of 3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is DHYQDSMRHUWYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-12-6-8-2-7(11-14-8)5-13-9-3-10-4-9/h2,9-10H,3-6H2,1H3.
What are the key properties of 3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole?
3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 198.22 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 66191333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).