5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine

C12H14BrN3O — CID 117038923

IUPAC5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine
SMILESCc1ccc(Br)cc1N(C)Cc1cc(N)no1
InChIInChI=1S/C12H14BrN3O/c1-8-3-4-9(13)5-11(8)16(2)7-10-6-12(14)15-17-10/h3-6H,7H2,1-2H3,(H2,14,15)
InChIKeyMHOYYOXPWDURNW-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.96
Rot. Bonds3

About 5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine

5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine (PubChem CID 117038923) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine
PubChem CID117038923
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine
SMILESCc1ccc(Br)cc1N(C)Cc1cc(N)no1
InChIInChI=1S/C12H14BrN3O/c1-8-3-4-9(13)5-11(8)16(2)7-10-6-12(14)15-17-10/h3-6H,7H2,1-2H3,(H2,14,15)
InChIKeyMHOYYOXPWDURNW-UHFFFAOYSA-N
XLogP2.96
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038901
5-[(N,3,4-trimethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038852
5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038946
5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038908
5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038114
5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038935
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine
CID 117038958
5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257817
5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038934
5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine
CID 117039027
2-N-(5-bromo-2-methylphenyl)-2-N,6-dimethylpyridine-2,5-diamine
CID 115147642

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine (CID 117038923) is 5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine is Cc1ccc(Br)cc1N(C)Cc1cc(N)no1.
What is the InChIKey of 5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine?
The InChIKey is MHOYYOXPWDURNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-8-3-4-9(13)5-11(8)16(2)7-10-6-12(14)15-17-10/h3-6H,7H2,1-2H3,(H2,14,15).
What are the key properties of 5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine?
5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine has a molecular weight of 296.17 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117038923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).