5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole

C20H19N3O2 — CID 45279642

IUPAC5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5CCOCC5)nc4c3)ccc21
InChIInChI=1S/C20H19N3O2/c1-22-7-6-16-12-14(2-4-18(16)22)15-3-5-19-17(13-15)21-20(25-19)23-8-10-24-11-9-23/h2-7,12-13H,8-11H2,1H3
InChIKeyCVUVTSWOWBWBCM-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.82
Rot. Bonds2

About 5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole

5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole (PubChem CID 45279642) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole
PubChem CID45279642
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5CCOCC5)nc4c3)ccc21
InChIInChI=1S/C20H19N3O2/c1-22-7-6-16-12-14(2-4-18(16)22)15-3-5-19-17(13-15)21-20(25-19)23-8-10-24-11-9-23/h2-7,12-13H,8-11H2,1H3
InChIKeyCVUVTSWOWBWBCM-UHFFFAOYSA-N
XLogP3.82
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole 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)-2-morpholin-4-yl-1,3-benzoxazole?
The IUPAC name of 5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole (CID 45279642) is 5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole?
The canonical SMILES for 5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole is Cn1ccc2cc(-c3ccc4oc(N5CCOCC5)nc4c3)ccc21.
What is the InChIKey of 5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole?
The InChIKey is CVUVTSWOWBWBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-22-7-6-16-12-14(2-4-18(16)22)15-3-5-19-17(13-15)21-20(25-19)23-8-10-24-11-9-23/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole?
5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole has a molecular weight of 333.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindol-5-yl)-2-morpholin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 45279642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).