2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine

C12H16N2O — CID 91674944

IUPAC2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine
SMILESCc1cc(N)cc2nc(C(C)(C)C)oc12
InChIInChI=1S/C12H16N2O/c1-7-5-8(13)6-9-10(7)15-11(14-9)12(2,3)4/h5-6H,13H2,1-4H3
InChIKeyFABLYMBAKRVYQQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.02
Rot. Bonds

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

2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine (PubChem CID 91674944) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine
PubChem CID91674944
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine
SMILESCc1cc(N)cc2nc(C(C)(C)C)oc12
InChIInChI=1S/C12H16N2O/c1-7-5-8(13)6-9-10(7)15-11(14-9)12(2,3)4/h5-6H,13H2,1-4H3
InChIKeyFABLYMBAKRVYQQ-UHFFFAOYSA-N
XLogP3.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.02
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 2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine (CID 91674944) is 2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine is Cc1cc(N)cc2nc(C(C)(C)C)oc12.
What is the InChIKey of 2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine?
The InChIKey is FABLYMBAKRVYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-5-8(13)6-9-10(7)15-11(14-9)12(2,3)4/h5-6H,13H2,1-4H3.
What are the key properties of 2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine?
2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine has a molecular weight of 204.27 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91674944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).