3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine

C14H24N2O3 — CID 56775546

IUPAC3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine
SMILESCOCc1cc(CC2(NCCC(C)C)COC2)no1
InChIInChI=1S/C14H24N2O3/c1-11(2)4-5-15-14(9-18-10-14)7-12-6-13(8-17-3)19-16-12/h6,11,15H,4-5,7-10H2,1-3H3
InChIKeyFEBCNWTUUCKIBD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.77
Rot. Bonds8

About 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine

3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine (PubChem CID 56775546) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine
PubChem CID56775546
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine
SMILESCOCc1cc(CC2(NCCC(C)C)COC2)no1
InChIInChI=1S/C14H24N2O3/c1-11(2)4-5-15-14(9-18-10-14)7-12-6-13(8-17-3)19-16-12/h6,11,15H,4-5,7-10H2,1-3H3
InChIKeyFEBCNWTUUCKIBD-UHFFFAOYSA-N
XLogP1.77
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine?
The IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine (CID 56775546) is 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine.
What is the SMILES notation for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine?
The canonical SMILES for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine is COCc1cc(CC2(NCCC(C)C)COC2)no1.
What is the InChIKey of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine?
The InChIKey is FEBCNWTUUCKIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(2)4-5-15-14(9-18-10-14)7-12-6-13(8-17-3)19-16-12/h6,11,15H,4-5,7-10H2,1-3H3.
What are the key properties of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine?
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(3-methylbutyl)oxetan-3-amine has a molecular weight of 268.36 g/mol, XLogP of 1.77, 8 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]methyl]-N-(3-methylbutyl)oxetan-3-amine is sourced from PubChem (CID 56775546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).