N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine

C14H17BrN2O2 — CID 56658481

IUPACN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1coc(-c2ccccc2Br)n1
InChIInChI=1S/C14H17BrN2O2/c1-10(8-18-2)16-7-11-9-19-14(17-11)12-5-3-4-6-13(12)15/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyGDHJARZCIBKBKH-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.23
Rot. Bonds6

About N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine

N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine (PubChem CID 56658481) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine
PubChem CID56658481
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1coc(-c2ccccc2Br)n1
InChIInChI=1S/C14H17BrN2O2/c1-10(8-18-2)16-7-11-9-19-14(17-11)12-5-3-4-6-13(12)15/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyGDHJARZCIBKBKH-UHFFFAOYSA-N
XLogP3.23
TPSA47.29 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine (CID 56658481) is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine is COCC(C)NCc1coc(-c2ccccc2Br)n1.
What is the InChIKey of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine?
The InChIKey is GDHJARZCIBKBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10(8-18-2)16-7-11-9-19-14(17-11)12-5-3-4-6-13(12)15/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine?
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine has a molecular weight of 325.21 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 N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 56658481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).