2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine

C16H24N2O — CID 82232976

IUPAC2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine
SMILESCC(C)Cc1cc(N)c2oc(CC(C)(C)C)nc2c1
InChIInChI=1S/C16H24N2O/c1-10(2)6-11-7-12(17)15-13(8-11)18-14(19-15)9-16(3,4)5/h7-8,10H,6,9,17H2,1-5H3
InChIKeyFIYDDIGGHLPAGN-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.20
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine

2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine (PubChem CID 82232976) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine
PubChem CID82232976
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine
SMILESCC(C)Cc1cc(N)c2oc(CC(C)(C)C)nc2c1
InChIInChI=1S/C16H24N2O/c1-10(2)6-11-7-12(17)15-13(8-11)18-14(19-15)9-16(3,4)5/h7-8,10H,6,9,17H2,1-5H3
InChIKeyFIYDDIGGHLPAGN-UHFFFAOYSA-N
XLogP4.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.20
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-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine (CID 82232976) is 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine is CC(C)Cc1cc(N)c2oc(CC(C)(C)C)nc2c1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine?
The InChIKey is FIYDDIGGHLPAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10(2)6-11-7-12(17)15-13(8-11)18-14(19-15)9-16(3,4)5/h7-8,10H,6,9,17H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine?
2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine has a molecular weight of 260.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3-benzoxazol-7-amine is sourced from PubChem (CID 82232976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).