5-tert-butyl-3-chloro-1,2-oxazol-4-amine

C7H11ClN2O — CID 82411326

IUPAC5-tert-butyl-3-chloro-1,2-oxazol-4-amine
SMILESCC(C)(C)c1onc(Cl)c1N
InChIInChI=1S/C7H11ClN2O/c1-7(2,3)5-4(9)6(8)10-11-5/h9H2,1-3H3
InChIKeyOIUCZTZUWUQDKO-UHFFFAOYSA-N
MW174.63 g/mol
LogP2.21
Rot. Bonds

About 5-tert-butyl-3-chloro-1,2-oxazol-4-amine

5-tert-butyl-3-chloro-1,2-oxazol-4-amine (PubChem CID 82411326) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-3-chloro-1,2-oxazol-4-amine
PubChem CID82411326
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name5-tert-butyl-3-chloro-1,2-oxazol-4-amine
SMILESCC(C)(C)c1onc(Cl)c1N
InChIInChI=1S/C7H11ClN2O/c1-7(2,3)5-4(9)6(8)10-11-5/h9H2,1-3H3
InChIKeyOIUCZTZUWUQDKO-UHFFFAOYSA-N
XLogP2.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloro-1,2-oxazol-4-amine?
The IUPAC name of 5-tert-butyl-3-chloro-1,2-oxazol-4-amine (CID 82411326) is 5-tert-butyl-3-chloro-1,2-oxazol-4-amine.
What is the SMILES notation for 5-tert-butyl-3-chloro-1,2-oxazol-4-amine?
The canonical SMILES for 5-tert-butyl-3-chloro-1,2-oxazol-4-amine is CC(C)(C)c1onc(Cl)c1N.
What is the InChIKey of 5-tert-butyl-3-chloro-1,2-oxazol-4-amine?
The InChIKey is OIUCZTZUWUQDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-7(2,3)5-4(9)6(8)10-11-5/h9H2,1-3H3.
What are the key properties of 5-tert-butyl-3-chloro-1,2-oxazol-4-amine?
5-tert-butyl-3-chloro-1,2-oxazol-4-amine has a molecular weight of 174.63 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-chloro-1,2-oxazol-4-amine is sourced from PubChem (CID 82411326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).