N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine

C16H15BrN2O — CID 115354652

IUPACN-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15BrN2O/c1-2-18-9-15-16(20-10-19-15)13-4-3-12-8-14(17)6-5-11(12)7-13/h3-8,10,18H,2,9H2,1H3
InChIKeyNCKWBANQKQUOBQ-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.37
Rot. Bonds4

About N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 115354652) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID115354652
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15BrN2O/c1-2-18-9-15-16(20-10-19-15)13-4-3-12-8-14(17)6-5-11(12)7-13/h3-8,10,18H,2,9H2,1H3
InChIKeyNCKWBANQKQUOBQ-UHFFFAOYSA-N
XLogP4.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114824029
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 113296266
N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145437
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 114019049
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 107952862
N-[[5-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 81487884
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145920
N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145623
N-[[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81308351
N-[[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146129
N-[[5-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376386
N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146134

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 115354652) is N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1ncoc1-c1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is NCKWBANQKQUOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-2-18-9-15-16(20-10-19-15)13-4-3-12-8-14(17)6-5-11(12)7-13/h3-8,10,18H,2,9H2,1H3.
What are the key properties of N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 331.21 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 115354652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).