N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine

C10H9BrN2O — CID 83312160

IUPACN-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine
SMILESBrc1ccc(CNc2ccon2)cc1
InChIInChI=1S/C10H9BrN2O/c11-9-3-1-8(2-4-9)7-12-10-5-6-14-13-10/h1-6H,7H2,(H,12,13)
InChIKeyWFEKJXCTUFXAIR-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.05
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine

N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine (PubChem CID 83312160) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine
PubChem CID83312160
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC NameN-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine
SMILESBrc1ccc(CNc2ccon2)cc1
InChIInChI=1S/C10H9BrN2O/c11-9-3-1-8(2-4-9)7-12-10-5-6-14-13-10/h1-6H,7H2,(H,12,13)
InChIKeyWFEKJXCTUFXAIR-UHFFFAOYSA-N
XLogP3.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine (CID 83312160) is N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine is Brc1ccc(CNc2ccon2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine?
The InChIKey is WFEKJXCTUFXAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-9-3-1-8(2-4-9)7-12-10-5-6-14-13-10/h1-6H,7H2,(H,12,13).
What are the key properties of N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine?
N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine has a molecular weight of 253.10 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 83312160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).