[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine

C13H22N2O3 — CID 66188763

IUPAC[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine
SMILESCOCc1cc(COC2CCCCC2CN)no1
InChIInChI=1S/C13H22N2O3/c1-16-9-12-6-11(15-18-12)8-17-13-5-3-2-4-10(13)7-14/h6,10,13H,2-5,7-9,14H2,1H3
InChIKeyAQSPIIRVDMICGI-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.86
Rot. Bonds6

About [2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine

[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine (PubChem CID 66188763) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine
PubChem CID66188763
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine
SMILESCOCc1cc(COC2CCCCC2CN)no1
InChIInChI=1S/C13H22N2O3/c1-16-9-12-6-11(15-18-12)8-17-13-5-3-2-4-10(13)7-14/h6,10,13H,2-5,7-9,14H2,1H3
InChIKeyAQSPIIRVDMICGI-UHFFFAOYSA-N
XLogP1.86
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine?
The IUPAC name of [2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine (CID 66188763) is [2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine?
The canonical SMILES for [2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine is COCc1cc(COC2CCCCC2CN)no1.
What is the InChIKey of [2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine?
The InChIKey is AQSPIIRVDMICGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-16-9-12-6-11(15-18-12)8-17-13-5-3-2-4-10(13)7-14/h6,10,13H,2-5,7-9,14H2,1H3.
What are the key properties of [2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine?
[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 66188763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).