2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine

C10H12N2O2 — CID 91679204

IUPAC2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine
SMILESCOCc1nc2cc(N)cc(C)c2o1
InChIInChI=1S/C10H12N2O2/c1-6-3-7(11)4-8-10(6)14-9(12-8)5-13-2/h3-4H,5,11H2,1-2H3
InChIKeyPLHZFGKXABIZIX-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.86
Rot. Bonds2

About 2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine

2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine (PubChem CID 91679204) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine
PubChem CID91679204
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine
SMILESCOCc1nc2cc(N)cc(C)c2o1
InChIInChI=1S/C10H12N2O2/c1-6-3-7(11)4-8-10(6)14-9(12-8)5-13-2/h3-4H,5,11H2,1-2H3
InChIKeyPLHZFGKXABIZIX-UHFFFAOYSA-N
XLogP1.86
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine (CID 91679204) is 2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine is COCc1nc2cc(N)cc(C)c2o1.
What is the InChIKey of 2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine?
The InChIKey is PLHZFGKXABIZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-3-7(11)4-8-10(6)14-9(12-8)5-13-2/h3-4H,5,11H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine?
2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine has a molecular weight of 192.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91679204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).