N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine

C20H27BrN2O2 — CID 146000683

IUPACN-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1OCc1cc(Br)no1
InChIInChI=1S/C20H27BrN2O2/c1-15(11-16-7-3-2-4-8-16)22-13-17-9-5-6-10-19(17)24-14-18-12-20(21)23-25-18/h5-6,9-10,12,15-16,22H,2-4,7-8,11,13-14H2,1H3
InChIKeyYLGDGUYADLPUIE-UHFFFAOYSA-N
MW407.35 g/mol
LogP5.46
Rot. Bonds8

About N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine

N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine (PubChem CID 146000683) has the molecular formula C20H27BrN2O2 and a molecular weight of 407.35 g/mol. Its IUPAC name is N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine
PubChem CID146000683
Molecular FormulaC20H27BrN2O2
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC NameN-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1OCc1cc(Br)no1
InChIInChI=1S/C20H27BrN2O2/c1-15(11-16-7-3-2-4-8-16)22-13-17-9-5-6-10-19(17)24-14-18-12-20(21)23-25-18/h5-6,9-10,12,15-16,22H,2-4,7-8,11,13-14H2,1H3
InChIKeyYLGDGUYADLPUIE-UHFFFAOYSA-N
XLogP5.46
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.35
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine?
The IUPAC name of N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine (CID 146000683) is N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine.
What is the SMILES notation for N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine?
The canonical SMILES for N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine is CC(CC1CCCCC1)NCc1ccccc1OCc1cc(Br)no1.
What is the InChIKey of N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine?
The InChIKey is YLGDGUYADLPUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O2/c1-15(11-16-7-3-2-4-8-16)22-13-17-9-5-6-10-19(17)24-14-18-12-20(21)23-25-18/h5-6,9-10,12,15-16,22H,2-4,7-8,11,13-14H2,1H3.
What are the key properties of N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine?
N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine has a molecular weight of 407.35 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromo-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-1-cyclohexylpropan-2-amine is sourced from PubChem (CID 146000683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).