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

C14H12N2O — CID 59991820

IUPAC6-methyl-N-phenyl-1,3-benzoxazol-2-amine
SMILESCc1ccc2nc(Nc3ccccc3)oc2c1
InChIInChI=1S/C14H12N2O/c1-10-7-8-12-13(9-10)17-14(16-12)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeyXXSCKJBKUIGXDV-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.88
Rot. Bonds2

About 6-methyl-N-phenyl-1,3-benzoxazol-2-amine

6-methyl-N-phenyl-1,3-benzoxazol-2-amine (PubChem CID 59991820) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-methyl-N-phenyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-phenyl-1,3-benzoxazol-2-amine
PubChem CID59991820
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name6-methyl-N-phenyl-1,3-benzoxazol-2-amine
SMILESCc1ccc2nc(Nc3ccccc3)oc2c1
InChIInChI=1S/C14H12N2O/c1-10-7-8-12-13(9-10)17-14(16-12)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeyXXSCKJBKUIGXDV-UHFFFAOYSA-N
XLogP3.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-phenyl-1,3-benzoxazol-2-amine?
The IUPAC name of 6-methyl-N-phenyl-1,3-benzoxazol-2-amine (CID 59991820) is 6-methyl-N-phenyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-methyl-N-phenyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-methyl-N-phenyl-1,3-benzoxazol-2-amine is Cc1ccc2nc(Nc3ccccc3)oc2c1.
What is the InChIKey of 6-methyl-N-phenyl-1,3-benzoxazol-2-amine?
The InChIKey is XXSCKJBKUIGXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-7-8-12-13(9-10)17-14(16-12)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16).
What are the key properties of 6-methyl-N-phenyl-1,3-benzoxazol-2-amine?
6-methyl-N-phenyl-1,3-benzoxazol-2-amine has a molecular weight of 224.26 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-phenyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 59991820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).