5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole

C20H18N2O2 — CID 58178276

IUPAC5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCCn1ccc2cccc(-c3oncc3-c3ccc(OC)cc3)c21
InChIInChI=1S/C20H18N2O2/c1-3-22-12-11-15-5-4-6-17(19(15)22)20-18(13-21-24-20)14-7-9-16(23-2)10-8-14/h4-13H,3H2,1-2H3
InChIKeyVCBSNWVZKKQDDI-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.99
Rot. Bonds4

About 5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole

5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 58178276) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole
PubChem CID58178276
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCCn1ccc2cccc(-c3oncc3-c3ccc(OC)cc3)c21
InChIInChI=1S/C20H18N2O2/c1-3-22-12-11-15-5-4-6-17(19(15)22)20-18(13-21-24-20)14-7-9-16(23-2)10-8-14/h4-13H,3H2,1-2H3
InChIKeyVCBSNWVZKKQDDI-UHFFFAOYSA-N
XLogP4.99
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole 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-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole (CID 58178276) is 5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole is CCn1ccc2cccc(-c3oncc3-c3ccc(OC)cc3)c21.
What is the InChIKey of 5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is VCBSNWVZKKQDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-3-22-12-11-15-5-4-6-17(19(15)22)20-18(13-21-24-20)14-7-9-16(23-2)10-8-14/h4-13H,3H2,1-2H3.
What are the key properties of 5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 318.38 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylindol-7-yl)-4-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 58178276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).