N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

C14H17BrN2O2 — CID 62454411

IUPACN-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COc2ccc(Br)cc2)on1
InChIInChI=1S/C14H17BrN2O2/c1-10(2)16-8-12-7-14(19-17-12)9-18-13-5-3-11(15)4-6-13/h3-7,10,16H,8-9H2,1-2H3
InChIKeyFLDNXTXFLGSLDA-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.51
Rot. Bonds6

About N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 62454411) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID62454411
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COc2ccc(Br)cc2)on1
InChIInChI=1S/C14H17BrN2O2/c1-10(2)16-8-12-7-14(19-17-12)9-18-13-5-3-11(15)4-6-13/h3-7,10,16H,8-9H2,1-2H3
InChIKeyFLDNXTXFLGSLDA-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62460442
N-[[5-(pyridin-3-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62450295
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62440455
N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62444489
N-[[5-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782711
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55072772
N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459576
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
N-[[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-2-amine
CID 66157217
N-[[5-(2-thiophen-2-ylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62485992
N-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62437894

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 62454411) is N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)NCc1cc(COc2ccc(Br)cc2)on1.
What is the InChIKey of N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is FLDNXTXFLGSLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10(2)16-8-12-7-14(19-17-12)9-18-13-5-3-11(15)4-6-13/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 325.21 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62454411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).