5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine

C21H16N4O — CID 45279553

IUPAC5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine
SMILESCn1ccc2cc(-c3ccc4oc(Nc5cccnc5)nc4c3)ccc21
InChIInChI=1S/C21H16N4O/c1-25-10-8-16-11-14(4-6-19(16)25)15-5-7-20-18(12-15)24-21(26-20)23-17-3-2-9-22-13-17/h2-13H,1H3,(H,23,24)
InChIKeyODXFEAFCJQNKMH-UHFFFAOYSA-N
MW340.39 g/mol
LogP5.13
Rot. Bonds3

About 5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine

5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine (PubChem CID 45279553) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine
PubChem CID45279553
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine
SMILESCn1ccc2cc(-c3ccc4oc(Nc5cccnc5)nc4c3)ccc21
InChIInChI=1S/C21H16N4O/c1-25-10-8-16-11-14(4-6-19(16)25)15-5-7-20-18(12-15)24-21(26-20)23-17-3-2-9-22-13-17/h2-13H,1H3,(H,23,24)
InChIKeyODXFEAFCJQNKMH-UHFFFAOYSA-N
XLogP5.13
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine (CID 45279553) is 5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine is Cn1ccc2cc(-c3ccc4oc(Nc5cccnc5)nc4c3)ccc21.
What is the InChIKey of 5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine?
The InChIKey is ODXFEAFCJQNKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-25-10-8-16-11-14(4-6-19(16)25)15-5-7-20-18(12-15)24-21(26-20)23-17-3-2-9-22-13-17/h2-13H,1H3,(H,23,24).
What are the key properties of 5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine?
5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine has a molecular weight of 340.39 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindol-5-yl)-N-pyridin-3-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 45279553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).