4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine

C8H11BrN2O — CID 103167459

IUPAC4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCC2)c1Br
InChIInChI=1S/C8H11BrN2O/c9-7-6(12-11-8(7)10)4-5-2-1-3-5/h5H,1-4H2,(H2,10,11)
InChIKeyDROLREAMQYKMNW-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.36
Rot. Bonds2

About 4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine

4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine (PubChem CID 103167459) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine
PubChem CID103167459
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCC2)c1Br
InChIInChI=1S/C8H11BrN2O/c9-7-6(12-11-8(7)10)4-5-2-1-3-5/h5H,1-4H2,(H2,10,11)
InChIKeyDROLREAMQYKMNW-UHFFFAOYSA-N
XLogP2.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine (CID 103167459) is 4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine is Nc1noc(CC2CCC2)c1Br.
What is the InChIKey of 4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine?
The InChIKey is DROLREAMQYKMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c9-7-6(12-11-8(7)10)4-5-2-1-3-5/h5H,1-4H2,(H2,10,11).
What are the key properties of 4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine?
4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine has a molecular weight of 231.09 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 103167459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).