N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine

C12H15BrN2O2 — CID 106856309

IUPACN-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(-c2ccoc2Br)o1
InChIInChI=1S/C12H15BrN2O2/c1-8(2)14-5-3-11-15-7-10(17-11)9-4-6-16-12(9)13/h4,6-8,14H,3,5H2,1-2H3
InChIKeyPUWLTGYEUCOJEX-UHFFFAOYSA-N
MW299.17 g/mol
LogP3.24
Rot. Bonds5

About N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine

N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (PubChem CID 106856309) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
PubChem CID106856309
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(-c2ccoc2Br)o1
InChIInChI=1S/C12H15BrN2O2/c1-8(2)14-5-3-11-15-7-10(17-11)9-4-6-16-12(9)13/h4,6-8,14H,3,5H2,1-2H3
InChIKeyPUWLTGYEUCOJEX-UHFFFAOYSA-N
XLogP3.24
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182190
3-[5-(4-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187377
N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65183522
3-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 115370266
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 106690347
N-[2-(5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazol-2-yl)ethyl]propan-2-amine
CID 103123445
5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
CID 106856290
N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65183124
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
N-[2-(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-2-yl)ethyl]propan-2-amine
CID 103123443
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 82891430
N-[2-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 66120101

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (CID 106856309) is N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1ncc(-c2ccoc2Br)o1.
What is the InChIKey of N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The InChIKey is PUWLTGYEUCOJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8(2)14-5-3-11-15-7-10(17-11)9-4-6-16-12(9)13/h4,6-8,14H,3,5H2,1-2H3.
What are the key properties of N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine has a molecular weight of 299.17 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 106856309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).