1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine

C14H17BrN2O2 — CID 54928874

IUPAC1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Br)ccc1OCc1cnoc1
InChIInChI=1S/C14H17BrN2O2/c1-2-13(16)6-11-5-12(15)3-4-14(11)18-8-10-7-17-19-9-10/h3-5,7,9,13H,2,6,8,16H2,1H3
InChIKeyAZQQXCXHJYIXMK-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.30
Rot. Bonds6

About 1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine

1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine (PubChem CID 54928874) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine
PubChem CID54928874
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Br)ccc1OCc1cnoc1
InChIInChI=1S/C14H17BrN2O2/c1-2-13(16)6-11-5-12(15)3-4-14(11)18-8-10-7-17-19-9-10/h3-5,7,9,13H,2,6,8,16H2,1H3
InChIKeyAZQQXCXHJYIXMK-UHFFFAOYSA-N
XLogP3.30
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
CID 60869592
1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 63421165
1-(5-bromo-2-pentoxyphenyl)butan-2-amine
CID 55197493
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine
CID 104807746
1-[5-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]butan-2-amine
CID 107051843
1-(5-bromo-2-hexoxyphenyl)butan-2-amine
CID 63421563
1-[5-bromo-2-(2-ethylhexoxy)phenyl]butan-2-amine
CID 63420992
1-(5-bromo-2-pent-3-ynoxyphenyl)butan-2-amine
CID 104807733
1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]butan-2-amine
CID 114530903
4-[(2-ethylphenoxy)methyl]-1,2-oxazole
CID 61223505
1-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]butan-2-amine
CID 63421771
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine (CID 54928874) is 1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(Br)ccc1OCc1cnoc1.
What is the InChIKey of 1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is AZQQXCXHJYIXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-13(16)6-11-5-12(15)3-4-14(11)18-8-10-7-17-19-9-10/h3-5,7,9,13H,2,6,8,16H2,1H3.
What are the key properties of 1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine?
1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 325.21 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 54928874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).