[5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine

C15H20N2O2 — CID 54846823

IUPAC[5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine
SMILESCC(C)CCOc1ccccc1-c1cc(CN)no1
InChIInChI=1S/C15H20N2O2/c1-11(2)7-8-18-14-6-4-3-5-13(14)15-9-12(10-16)17-19-15/h3-6,9,11H,7-8,10,16H2,1-2H3
InChIKeyUMTGCQLGEHLGLC-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.23
Rot. Bonds6

About [5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine

[5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 54846823) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine
PubChem CID54846823
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine
SMILESCC(C)CCOc1ccccc1-c1cc(CN)no1
InChIInChI=1S/C15H20N2O2/c1-11(2)7-8-18-14-6-4-3-5-13(14)15-9-12(10-16)17-19-15/h3-6,9,11H,7-8,10,16H2,1-2H3
InChIKeyUMTGCQLGEHLGLC-UHFFFAOYSA-N
XLogP3.23
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine
CID 54846749
N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 54847006
2-[2-(3-methylbutoxy)phenyl]phenol
CID 58560440
N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 79020183
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82472973
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16564672
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
CID 54846502
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine
CID 28808393
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63647898

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine (CID 54846823) is [5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine is CC(C)CCOc1ccccc1-c1cc(CN)no1.
What is the InChIKey of [5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is UMTGCQLGEHLGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)7-8-18-14-6-4-3-5-13(14)15-9-12(10-16)17-19-15/h3-6,9,11H,7-8,10,16H2,1-2H3.
What are the key properties of [5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine?
[5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 54846823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).