5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine

C14H13N3O2 — CID 24780524

IUPAC5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3ccc(OC)cc3o2)cn1
InChIInChI=1S/C14H13N3O2/c1-15-13-6-3-9(8-16-13)14-17-11-5-4-10(18-2)7-12(11)19-14/h3-8H,1-2H3,(H,15,16)
InChIKeyTXFCYCHIDAWSKH-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.94
Rot. Bonds3

About 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine

5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine (PubChem CID 24780524) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine
PubChem CID24780524
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3ccc(OC)cc3o2)cn1
InChIInChI=1S/C14H13N3O2/c1-15-13-6-3-9(8-16-13)14-17-11-5-4-10(18-2)7-12(11)19-14/h3-8H,1-2H3,(H,15,16)
InChIKeyTXFCYCHIDAWSKH-UHFFFAOYSA-N
XLogP2.94
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine?
The IUPAC name of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine (CID 24780524) is 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine is CNc1ccc(-c2nc3ccc(OC)cc3o2)cn1.
What is the InChIKey of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine?
The InChIKey is TXFCYCHIDAWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-15-13-6-3-9(8-16-13)14-17-11-5-4-10(18-2)7-12(11)19-14/h3-8H,1-2H3,(H,15,16).
What are the key properties of 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine?
5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine has a molecular weight of 255.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 24780524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).