4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine

C13H13BrN2O — CID 66200452

IUPAC4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CC2)c1-c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O/c14-10-3-1-2-9(7-10)12-11(6-8-4-5-8)17-16-13(12)15/h1-3,7-8H,4-6H2,(H2,15,16)
InChIKeyXQMGLMMMQNVGLK-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.64
Rot. Bonds3

About 4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine

4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine (PubChem CID 66200452) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine
PubChem CID66200452
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CC2)c1-c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O/c14-10-3-1-2-9(7-10)12-11(6-8-4-5-8)17-16-13(12)15/h1-3,7-8H,4-6H2,(H2,15,16)
InChIKeyXQMGLMMMQNVGLK-UHFFFAOYSA-N
XLogP3.64
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine (CID 66200452) is 4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine is Nc1noc(CC2CC2)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine?
The InChIKey is XQMGLMMMQNVGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-10-3-1-2-9(7-10)12-11(6-8-4-5-8)17-16-13(12)15/h1-3,7-8H,4-6H2,(H2,15,16).
What are the key properties of 4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine?
4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine has a molecular weight of 293.16 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).