[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine

C12H13BrN2O2 — CID 63044789

IUPAC[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
SMILESCc1cc(COc2ccc(CN)cc2Br)on1
InChIInChI=1S/C12H13BrN2O2/c1-8-4-10(17-15-8)7-16-12-3-2-9(6-14)5-11(12)13/h2-5H,6-7,14H2,1H3
InChIKeyPATFNZAWUVBTMF-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.78
Rot. Bonds4

About [3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine

[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 63044789) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is [3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
PubChem CID63044789
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
SMILESCc1cc(COc2ccc(CN)cc2Br)on1
InChIInChI=1S/C12H13BrN2O2/c1-8-4-10(17-15-8)7-16-12-3-2-9(6-14)5-11(12)13/h2-5H,6-7,14H2,1H3
InChIKeyPATFNZAWUVBTMF-UHFFFAOYSA-N
XLogP2.78
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine with MolForge

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Related Compounds

N-[[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63045528
[3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine
CID 63047028
[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 63047206
[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-nitrophenyl]methanamine
CID 62114456
2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66190553
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 60879041
3-[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-enoic acid
CID 76983122
3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline
CID 68883487
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 55189227
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 115401922

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine (CID 63044789) is [3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine is Cc1cc(COc2ccc(CN)cc2Br)on1.
What is the InChIKey of [3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is PATFNZAWUVBTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-8-4-10(17-15-8)7-16-12-3-2-9(6-14)5-11(12)13/h2-5H,6-7,14H2,1H3.
What are the key properties of [3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine?
[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 297.15 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 63044789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).