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

C20H15N3OS — CID 68657897

IUPAC5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine
SMILESCn1ccc2cc(-c3ccc4oc(Nc5cccs5)nc4c3)ccc21
InChIInChI=1S/C20H15N3OS/c1-23-9-8-15-11-13(4-6-17(15)23)14-5-7-18-16(12-14)21-20(24-18)22-19-3-2-10-25-19/h2-12H,1H3,(H,21,22)
InChIKeyGRVIGYPJYMFHHE-UHFFFAOYSA-N
MW345.43 g/mol
LogP5.79
Rot. Bonds3

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

5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine (PubChem CID 68657897) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine
PubChem CID68657897
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine
SMILESCn1ccc2cc(-c3ccc4oc(Nc5cccs5)nc4c3)ccc21
InChIInChI=1S/C20H15N3OS/c1-23-9-8-15-11-13(4-6-17(15)23)14-5-7-18-16(12-14)21-20(24-18)22-19-3-2-10-25-19/h2-12H,1H3,(H,21,22)
InChIKeyGRVIGYPJYMFHHE-UHFFFAOYSA-N
XLogP5.79
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.43
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine (CID 68657897) is 5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine is Cn1ccc2cc(-c3ccc4oc(Nc5cccs5)nc4c3)ccc21.
What is the InChIKey of 5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is GRVIGYPJYMFHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-23-9-8-15-11-13(4-6-17(15)23)14-5-7-18-16(12-14)21-20(24-18)22-19-3-2-10-25-19/h2-12H,1H3,(H,21,22).
What are the key properties of 5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine?
5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 345.43 g/mol, XLogP of 5.79, 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-thiophen-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 68657897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).