3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine

C11H13BrN2O2 — CID 106854761

IUPAC3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1c(-c2ccoc2Br)noc1N
InChIInChI=1S/C11H13BrN2O2/c1-6(2)5-8-9(14-16-11(8)13)7-3-4-15-10(7)12/h3-4,6H,5,13H2,1-2H3
InChIKeyAOFMTIOVZLRQBK-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.48
Rot. Bonds3

About 3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine

3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine (PubChem CID 106854761) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
PubChem CID106854761
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1c(-c2ccoc2Br)noc1N
InChIInChI=1S/C11H13BrN2O2/c1-6(2)5-8-9(14-16-11(8)13)7-3-4-15-10(7)12/h3-4,6H,5,13H2,1-2H3
InChIKeyAOFMTIOVZLRQBK-UHFFFAOYSA-N
XLogP3.48
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 107982875
4-(2-methylpropyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 79217867
3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 105473442
3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 106854737
3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 115354111
3-(2-methoxy-3-pyridinyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 62875660
3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 63214178
4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine
CID 135969050
4-(2-methylpropyl)-3-pyrazolo[1,5-a]pyrazin-3-yl-1,2-oxazol-5-amine
CID 103119571
1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106855921
4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
CID 106687946
7-(2-methylpropyl)furo[3,2-c]pyridin-6-amine
CID 96625097

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine (CID 106854761) is 3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine is CC(C)Cc1c(-c2ccoc2Br)noc1N.
What is the InChIKey of 3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The InChIKey is AOFMTIOVZLRQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-6(2)5-8-9(14-16-11(8)13)7-3-4-15-10(7)12/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine has a molecular weight of 285.14 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromofuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 106854761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).