N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine

C18H17BrN2O — CID 66578224

IUPACN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
SMILESCc1noc(-c2ccc(Br)cc2)c1CNCc1ccccc1
InChIInChI=1S/C18H17BrN2O/c1-13-17(12-20-11-14-5-3-2-4-6-14)18(22-21-13)15-7-9-16(19)10-8-15/h2-10,20H,11-12H2,1H3
InChIKeyOBMHXWPPJYCGRV-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.70
Rot. Bonds5

About N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine

N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine (PubChem CID 66578224) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
PubChem CID66578224
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC NameN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
SMILESCc1noc(-c2ccc(Br)cc2)c1CNCc1ccccc1
InChIInChI=1S/C18H17BrN2O/c1-13-17(12-20-11-14-5-3-2-4-6-14)18(22-21-13)15-7-9-16(19)10-8-15/h2-10,20H,11-12H2,1H3
InChIKeyOBMHXWPPJYCGRV-UHFFFAOYSA-N
XLogP4.70
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-cyclohexylmethanamine
CID 66578383
4-benzyl-3-methyl-5-phenyl-1,2-oxazole
CID 14978502
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide
CID 66578409
5-(4-bromophenyl)-3-methyl-4-prop-2-enyl-1,2-oxazole
CID 66577235
(2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine
CID 141296003
2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 66579316
2-benzyl-5-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole
CID 66577754
5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole
CID 66578467
5-(4-bromophenyl)-3-methyl-4-(4-phenylbut-1-enyl)-1,2-oxazole
CID 66578468
2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 66578516
2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide
CID 141296063
5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 110677073

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine (CID 66578224) is N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine is Cc1noc(-c2ccc(Br)cc2)c1CNCc1ccccc1.
What is the InChIKey of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine?
The InChIKey is OBMHXWPPJYCGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c1-13-17(12-20-11-14-5-3-2-4-6-14)18(22-21-13)15-7-9-16(19)10-8-15/h2-10,20H,11-12H2,1H3.
What are the key properties of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine?
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine has a molecular weight of 357.25 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 66578224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).