2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine

C11H14N2O — CID 82229881

IUPAC2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine
SMILESCc1nc2c(C)c(C)c(N)c(C)c2o1
InChIInChI=1S/C11H14N2O/c1-5-6(2)10-11(7(3)9(5)12)14-8(4)13-10/h12H2,1-4H3
InChIKeyGCZBQHCNASEOAP-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.64
Rot. Bonds

About 2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine

2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine (PubChem CID 82229881) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine
PubChem CID82229881
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine
SMILESCc1nc2c(C)c(C)c(N)c(C)c2o1
InChIInChI=1S/C11H14N2O/c1-5-6(2)10-11(7(3)9(5)12)14-8(4)13-10/h12H2,1-4H3
InChIKeyGCZBQHCNASEOAP-UHFFFAOYSA-N
XLogP2.64
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.64
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 2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine?
The IUPAC name of 2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine (CID 82229881) is 2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine?
The canonical SMILES for 2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine is Cc1nc2c(C)c(C)c(N)c(C)c2o1.
What is the InChIKey of 2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine?
The InChIKey is GCZBQHCNASEOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-5-6(2)10-11(7(3)9(5)12)14-8(4)13-10/h12H2,1-4H3.
What are the key properties of 2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine?
2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine has a molecular weight of 190.25 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,7-tetramethyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 82229881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).