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

C14H12N2O — CID 12751500

IUPAC5-methyl-N-phenyl-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(Nc3ccccc3)nc2c1
InChIInChI=1S/C14H12N2O/c1-10-7-8-13-12(9-10)16-14(17-13)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeySJERMAXXFIXBCQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.88
Rot. Bonds2

About 5-methyl-N-phenyl-1,3-benzoxazol-2-amine

5-methyl-N-phenyl-1,3-benzoxazol-2-amine (PubChem CID 12751500) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-methyl-N-phenyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-phenyl-1,3-benzoxazol-2-amine
PubChem CID12751500
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name5-methyl-N-phenyl-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(Nc3ccccc3)nc2c1
InChIInChI=1S/C14H12N2O/c1-10-7-8-13-12(9-10)16-14(17-13)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeySJERMAXXFIXBCQ-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 5-methyl-N-phenyl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-methyl-N-phenyl-1,3-benzoxazol-2-amine (CID 12751500) is 5-methyl-N-phenyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-methyl-N-phenyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-methyl-N-phenyl-1,3-benzoxazol-2-amine is Cc1ccc2oc(Nc3ccccc3)nc2c1.
What is the InChIKey of 5-methyl-N-phenyl-1,3-benzoxazol-2-amine?
The InChIKey is SJERMAXXFIXBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-7-8-13-12(9-10)16-14(17-13)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16).
What are the key properties of 5-methyl-N-phenyl-1,3-benzoxazol-2-amine?
5-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 5-methyl-N-phenyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 12751500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).