[4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine

C10H9BrN2O — CID 82298406

IUPAC[4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1nc(-c2ccc(Br)cc2)co1
InChIInChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-6-14-10(5-12)13-9/h1-4,6H,5,12H2
InChIKeyPBVCYPYQRDNRBU-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.56
Rot. Bonds2

About [4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine

[4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 82298406) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is [4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine
PubChem CID82298406
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name[4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1nc(-c2ccc(Br)cc2)co1
InChIInChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-6-14-10(5-12)13-9/h1-4,6H,5,12H2
InChIKeyPBVCYPYQRDNRBU-UHFFFAOYSA-N
XLogP2.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine (CID 82298406) is [4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine is NCc1nc(-c2ccc(Br)cc2)co1.
What is the InChIKey of [4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is PBVCYPYQRDNRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-6-14-10(5-12)13-9/h1-4,6H,5,12H2.
What are the key properties of [4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine?
[4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 253.10 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82298406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).