[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine

C11H11BrN2O2 — CID 65179787

IUPAC[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCOc1ccc(Br)c(-c2cnc(CN)o2)c1
InChIInChI=1S/C11H11BrN2O2/c1-15-7-2-3-9(12)8(4-7)10-6-14-11(5-13)16-10/h2-4,6H,5,13H2,1H3
InChIKeyUYLYLMDNPBPQEJ-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.57
Rot. Bonds3

About [5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine

[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65179787) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is [5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
PubChem CID65179787
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCOc1ccc(Br)c(-c2cnc(CN)o2)c1
InChIInChI=1S/C11H11BrN2O2/c1-15-7-2-3-9(12)8(4-7)10-6-14-11(5-13)16-10/h2-4,6H,5,13H2,1H3
InChIKeyUYLYLMDNPBPQEJ-UHFFFAOYSA-N
XLogP2.57
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182889
[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360064
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182601
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184310
5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179645
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179670
2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069887
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
CID 43144202
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine (CID 65179787) is [5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine is COc1ccc(Br)c(-c2cnc(CN)o2)c1.
What is the InChIKey of [5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is UYLYLMDNPBPQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-15-7-2-3-9(12)8(4-7)10-6-14-11(5-13)16-10/h2-4,6H,5,13H2,1H3.
What are the key properties of [5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine?
[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 283.12 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65179787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).