3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole

C12H18N2O3 — CID 56949642

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole
SMILESc1c(OC[C@@H]2CCN2)noc1COCC1CC1
InChIInChI=1S/C12H18N2O3/c1-2-9(1)6-15-8-11-5-12(14-17-11)16-7-10-3-4-13-10/h5,9-10,13H,1-4,6-8H2/t10-/m0/s1
InChIKeyZKRLFWVBAKQULM-JTQLQIEISA-N
MW238.29 g/mol
LogP1.34
Rot. Bonds7

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole

3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole (PubChem CID 56949642) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole
PubChem CID56949642
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole
SMILESc1c(OC[C@@H]2CCN2)noc1COCC1CC1
InChIInChI=1S/C12H18N2O3/c1-2-9(1)6-15-8-11-5-12(14-17-11)16-7-10-3-4-13-10/h5,9-10,13H,1-4,6-8H2/t10-/m0/s1
InChIKeyZKRLFWVBAKQULM-JTQLQIEISA-N
XLogP1.34
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole (CID 56949642) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole is c1c(OC[C@@H]2CCN2)noc1COCC1CC1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole?
The InChIKey is ZKRLFWVBAKQULM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-9(1)6-15-8-11-5-12(14-17-11)16-7-10-3-4-13-10/h5,9-10,13H,1-4,6-8H2/t10-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole?
3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole has a molecular weight of 238.29 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole is sourced from PubChem (CID 56949642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).