7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine

C14H20N2O — CID 82231467

IUPAC7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(N)cc(C(C)(C)C)c2o1
InChIInChI=1S/C14H20N2O/c1-8(2)13-16-11-7-9(15)6-10(12(11)17-13)14(3,4)5/h6-8H,15H2,1-5H3
InChIKeyFUQJPPOBTYJAKJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.83
Rot. Bonds1

About 7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine

7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 82231467) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID82231467
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(N)cc(C(C)(C)C)c2o1
InChIInChI=1S/C14H20N2O/c1-8(2)13-16-11-7-9(15)6-10(12(11)17-13)14(3,4)5/h6-8H,15H2,1-5H3
InChIKeyFUQJPPOBTYJAKJ-UHFFFAOYSA-N
XLogP3.83
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of 7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 82231467) is 7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for 7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine is CC(C)c1nc2cc(N)cc(C(C)(C)C)c2o1.
What is the InChIKey of 7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is FUQJPPOBTYJAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-8(2)13-16-11-7-9(15)6-10(12(11)17-13)14(3,4)5/h6-8H,15H2,1-5H3.
What are the key properties of 7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 232.33 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82231467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).