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

C12H13BrN2O — CID 115086713

IUPAC1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Cc2cccc(Br)c2)o1
InChIInChI=1S/C12H13BrN2O/c1-14-7-11-8-15-12(16-11)6-9-3-2-4-10(13)5-9/h2-5,8,14H,6-7H2,1H3
InChIKeyMZZDMAIUALLMNX-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.75
Rot. Bonds4

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

1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine (PubChem CID 115086713) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine
PubChem CID115086713
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Cc2cccc(Br)c2)o1
InChIInChI=1S/C12H13BrN2O/c1-14-7-11-8-15-12(16-11)6-9-3-2-4-10(13)5-9/h2-5,8,14H,6-7H2,1H3
InChIKeyMZZDMAIUALLMNX-UHFFFAOYSA-N
XLogP2.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086653
3-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136727
1-[2-(3-bromophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62755501
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 62741909
2-[(3-bromophenyl)methyl]-1,3-benzoxazole
CID 82489683
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3501172
3-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55039217
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole
CID 138571512
N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437645

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine (CID 115086713) is 1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine is CNCc1cnc(Cc2cccc(Br)c2)o1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine?
The InChIKey is MZZDMAIUALLMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-14-7-11-8-15-12(16-11)6-9-3-2-4-10(13)5-9/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine?
1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine has a molecular weight of 281.15 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 115086713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).