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

C19H19BrN2O — CID 56665841

IUPACN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1coc(-c2ccccc2Br)n1)c1ccccc1
InChIInChI=1S/C19H19BrN2O/c1-14(15-7-3-2-4-8-15)11-21-12-16-13-23-19(22-16)17-9-5-6-10-18(17)20/h2-10,13-14,21H,11-12H2,1H3
InChIKeyVLUUTYPPRFGJDX-UHFFFAOYSA-N
MW371.28 g/mol
LogP5.00
Rot. Bonds6

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

N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine (PubChem CID 56665841) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine
PubChem CID56665841
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC NameN-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1coc(-c2ccccc2Br)n1)c1ccccc1
InChIInChI=1S/C19H19BrN2O/c1-14(15-7-3-2-4-8-15)11-21-12-16-13-23-19(22-16)17-9-5-6-10-18(17)20/h2-10,13-14,21H,11-12H2,1H3
InChIKeyVLUUTYPPRFGJDX-UHFFFAOYSA-N
XLogP5.00
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261
2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10194571
2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10309516
N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10309963
N-[[4-[4-(4-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415782
N-[[4-[4-(azocane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415819
N-[[4-[4-(3-fluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415834
((S)-1-Benzyl-pyrrolidin-3-ylmethyl)-[2-(5-bromo-2-methoxy-phenyl)-oxazol-4-ylmethyl]-amine
CID 10479188
(1-Benzyl-piperidin-4-yl)-(2-phenyl-oxazol-4-ylmethyl)-amine
CID 12050198

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine (CID 56665841) is N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine is CC(CNCc1coc(-c2ccccc2Br)n1)c1ccccc1.
What is the InChIKey of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine?
The InChIKey is VLUUTYPPRFGJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c1-14(15-7-3-2-4-8-15)11-21-12-16-13-23-19(22-16)17-9-5-6-10-18(17)20/h2-10,13-14,21H,11-12H2,1H3.
What are the key properties of N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine?
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine has a molecular weight of 371.28 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 56665841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).