1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine

C15H20N2O2 — CID 55201689

IUPAC1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)ccc1OCc1ccno1
InChIInChI=1S/C15H20N2O2/c1-3-13(16)9-12-8-11(2)4-5-15(12)18-10-14-6-7-17-19-14/h4-8,13H,3,9-10,16H2,1-2H3
InChIKeyHOJZDAYMBIEVBP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.84
Rot. Bonds6

About 1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine

1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine (PubChem CID 55201689) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine
PubChem CID55201689
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)ccc1OCc1ccno1
InChIInChI=1S/C15H20N2O2/c1-3-13(16)9-12-8-11(2)4-5-15(12)18-10-14-6-7-17-19-14/h4-8,13H,3,9-10,16H2,1-2H3
InChIKeyHOJZDAYMBIEVBP-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine
CID 63326210
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[2-(4-methoxybutoxy)-5-methylphenyl]butan-2-amine
CID 104648841
N-ethyl-1-[4-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 63640834
1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine
CID 63326379
(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 55190081
1-[5-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]butan-2-amine
CID 65164133
methyl 3-[2-(2-aminobutyl)-4-methylphenoxy]-2,2-dimethylpropanoate
CID 79621644
1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 107701306
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole
CID 78913027
(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 113389763
1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 62074736

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine (CID 55201689) is 1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(C)ccc1OCc1ccno1.
What is the InChIKey of 1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is HOJZDAYMBIEVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-13(16)9-12-8-11(2)4-5-15(12)18-10-14-6-7-17-19-14/h4-8,13H,3,9-10,16H2,1-2H3.
What are the key properties of 1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine?
1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 55201689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).