5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine

C22H17N3O2 — CID 67213782

IUPAC5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine
SMILESCn1cc(-c2cc(N)no2)c2c(Oc3ccc4ccccc4c3)cccc21
InChIInChI=1S/C22H17N3O2/c1-25-13-17(20-12-21(23)24-27-20)22-18(25)7-4-8-19(22)26-16-10-9-14-5-2-3-6-15(14)11-16/h2-13H,1H3,(H2,23,24)
InChIKeyINISDQMEAAKNMO-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.36
Rot. Bonds3

About 5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine

5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine (PubChem CID 67213782) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine
PubChem CID67213782
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine
SMILESCn1cc(-c2cc(N)no2)c2c(Oc3ccc4ccccc4c3)cccc21
InChIInChI=1S/C22H17N3O2/c1-25-13-17(20-12-21(23)24-27-20)22-18(25)7-4-8-19(22)26-16-10-9-14-5-2-3-6-15(14)11-16/h2-13H,1H3,(H2,23,24)
InChIKeyINISDQMEAAKNMO-UHFFFAOYSA-N
XLogP5.36
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-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-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine (CID 67213782) is 5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine is Cn1cc(-c2cc(N)no2)c2c(Oc3ccc4ccccc4c3)cccc21.
What is the InChIKey of 5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine?
The InChIKey is INISDQMEAAKNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-25-13-17(20-12-21(23)24-27-20)22-18(25)7-4-8-19(22)26-16-10-9-14-5-2-3-6-15(14)11-16/h2-13H,1H3,(H2,23,24).
What are the key properties of 5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine?
5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine has a molecular weight of 355.40 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 67213782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).