3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine

C12H22N2O3 — CID 66190937

IUPAC3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine
SMILESCOCc1cc(COCCCNC(C)C)no1
InChIInChI=1S/C12H22N2O3/c1-10(2)13-5-4-6-16-8-11-7-12(9-15-3)17-14-11/h7,10,13H,4-6,8-9H2,1-3H3
InChIKeyMPRLGWRFABTBLF-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.73
Rot. Bonds9

About 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine

3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 66190937) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine
PubChem CID66190937
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine
SMILESCOCc1cc(COCCCNC(C)C)no1
InChIInChI=1S/C12H22N2O3/c1-10(2)13-5-4-6-16-8-11-7-12(9-15-3)17-14-11/h7,10,13H,4-6,8-9H2,1-3H3
InChIKeyMPRLGWRFABTBLF-UHFFFAOYSA-N
XLogP1.73
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 86769373
N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 106206079
O-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]hydroxylamine
CID 79427575
N-[[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-2-amine
CID 66157217
N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62440537
N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62444489
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62342794
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 103180982
5-(methoxymethyl)-3-(piperidin-4-ylmethoxymethyl)-1,2-oxazole
CID 66190537
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole
CID 135279212
N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine
CID 64771673

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine (CID 66190937) is 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine is COCc1cc(COCCCNC(C)C)no1.
What is the InChIKey of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is MPRLGWRFABTBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(2)13-5-4-6-16-8-11-7-12(9-15-3)17-14-11/h7,10,13H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine?
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 242.32 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 66190937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).