N-tert-butyl-5-phenyl-1,3-oxazol-2-amine

C13H16N2O — CID 12707556

IUPACN-tert-butyl-5-phenyl-1,3-oxazol-2-amine
SMILESCC(C)(C)Nc1ncc(-c2ccccc2)o1
InChIInChI=1S/C13H16N2O/c1-13(2,3)15-12-14-9-11(16-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15)
InChIKeyRAADCZTXHKXISP-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.55
Rot. Bonds2

About N-tert-butyl-5-phenyl-1,3-oxazol-2-amine

N-tert-butyl-5-phenyl-1,3-oxazol-2-amine (PubChem CID 12707556) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-tert-butyl-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-phenyl-1,3-oxazol-2-amine
PubChem CID12707556
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-tert-butyl-5-phenyl-1,3-oxazol-2-amine
SMILESCC(C)(C)Nc1ncc(-c2ccccc2)o1
InChIInChI=1S/C13H16N2O/c1-13(2,3)15-12-14-9-11(16-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15)
InChIKeyRAADCZTXHKXISP-UHFFFAOYSA-N
XLogP3.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-tert-butyl-5-phenyl-1,3-oxazol-2-amine (CID 12707556) is N-tert-butyl-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-tert-butyl-5-phenyl-1,3-oxazol-2-amine is CC(C)(C)Nc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-tert-butyl-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is RAADCZTXHKXISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)15-12-14-9-11(16-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-5-phenyl-1,3-oxazol-2-amine?
N-tert-butyl-5-phenyl-1,3-oxazol-2-amine has a molecular weight of 216.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 12707556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).