N-methyl-1,3-benzoxazol-2-amine

C8H8N2O — CID 590605

IUPACN-methyl-1,3-benzoxazol-2-amine
SMILESCNc1nc2ccccc2o1
InChIInChI=1S/C8H8N2O/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
InChIKeyRNDXNZLSLYKBAX-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.87
Rot. Bonds1

About N-methyl-1,3-benzoxazol-2-amine

N-methyl-1,3-benzoxazol-2-amine (PubChem CID 590605) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is N-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-methyl-1,3-benzoxazol-2-amine
PubChem CID590605
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC NameN-methyl-1,3-benzoxazol-2-amine
SMILESCNc1nc2ccccc2o1
InChIInChI=1S/C8H8N2O/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
InChIKeyRNDXNZLSLYKBAX-UHFFFAOYSA-N
XLogP1.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-methyl-1,3-benzoxazol-2-amine (CID 590605) is N-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-methyl-1,3-benzoxazol-2-amine is CNc1nc2ccccc2o1.
What is the InChIKey of N-methyl-1,3-benzoxazol-2-amine?
The InChIKey is RNDXNZLSLYKBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10).
What are the key properties of N-methyl-1,3-benzoxazol-2-amine?
N-methyl-1,3-benzoxazol-2-amine has a molecular weight of 148.16 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 590605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).