1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine

C11H11BrN2O — CID 71742357

IUPAC1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2ncco2)cc1
InChIInChI=1S/C11H11BrN2O/c12-10-3-1-9(2-4-10)7-13-8-11-14-5-6-15-11/h1-6,13H,7-8H2
InChIKeyOOYHQPUGFZBBDL-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine

1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine (PubChem CID 71742357) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine
PubChem CID71742357
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2ncco2)cc1
InChIInChI=1S/C11H11BrN2O/c12-10-3-1-9(2-4-10)7-13-8-11-14-5-6-15-11/h1-6,13H,7-8H2
InChIKeyOOYHQPUGFZBBDL-UHFFFAOYSA-N
XLogP2.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine (CID 71742357) is 1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine is Brc1ccc(CNCc2ncco2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine?
The InChIKey is OOYHQPUGFZBBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-10-3-1-9(2-4-10)7-13-8-11-14-5-6-15-11/h1-6,13H,7-8H2.
What are the key properties of 1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine?
1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine has a molecular weight of 267.13 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine is sourced from PubChem (CID 71742357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).