4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine

C13H12N4O — CID 166630774

IUPAC4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine
SMILESCc1onc2ccc(-c3cc(N)nc(N)c3)cc12
InChIInChI=1S/C13H12N4O/c1-7-10-4-8(2-3-11(10)17-18-7)9-5-12(14)16-13(15)6-9/h2-6H,1H3,(H4,14,15,16)
InChIKeySDAOACVUVSPPAO-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.36
Rot. Bonds1

About 4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine

4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine (PubChem CID 166630774) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine
PubChem CID166630774
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine
SMILESCc1onc2ccc(-c3cc(N)nc(N)c3)cc12
InChIInChI=1S/C13H12N4O/c1-7-10-4-8(2-3-11(10)17-18-7)9-5-12(14)16-13(15)6-9/h2-6H,1H3,(H4,14,15,16)
InChIKeySDAOACVUVSPPAO-UHFFFAOYSA-N
XLogP2.36
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine (CID 166630774) is 4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine is Cc1onc2ccc(-c3cc(N)nc(N)c3)cc12.
What is the InChIKey of 4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine?
The InChIKey is SDAOACVUVSPPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-7-10-4-8(2-3-11(10)17-18-7)9-5-12(14)16-13(15)6-9/h2-6H,1H3,(H4,14,15,16).
What are the key properties of 4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine?
4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine has a molecular weight of 240.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,1-benzoxazol-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 166630774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).