[6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C23H20FN3O4 — CID 136963062

IUPAC[6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)c2c(O)[nH]c3cc(F)c(-c4ccc(N5CCOCC5)cc4)cc23)on1
InChIInChI=1S/C23H20FN3O4/c1-13-10-20(31-26-13)22(28)21-17-11-16(18(24)12-19(17)25-23(21)29)14-2-4-15(5-3-14)27-6-8-30-9-7-27/h2-5,10-12,25,29H,6-9H2,1H3
InChIKeyPRMJZTFRCBTSTR-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.04
Rot. Bonds4

About [6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

[6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 136963062) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is [6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID136963062
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name[6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)c2c(O)[nH]c3cc(F)c(-c4ccc(N5CCOCC5)cc4)cc23)on1
InChIInChI=1S/C23H20FN3O4/c1-13-10-20(31-26-13)22(28)21-17-11-16(18(24)12-19(17)25-23(21)29)14-2-4-15(5-3-14)27-6-8-30-9-7-27/h2-5,10-12,25,29H,6-9H2,1H3
InChIKeyPRMJZTFRCBTSTR-UHFFFAOYSA-N
XLogP4.04
TPSA91.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone 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 [6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 136963062) is [6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)c2c(O)[nH]c3cc(F)c(-c4ccc(N5CCOCC5)cc4)cc23)on1.
What is the InChIKey of [6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is PRMJZTFRCBTSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c1-13-10-20(31-26-13)22(28)21-17-11-16(18(24)12-19(17)25-23(21)29)14-2-4-15(5-3-14)27-6-8-30-9-7-27/h2-5,10-12,25,29H,6-9H2,1H3.
What are the key properties of [6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 421.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-hydroxy-5-(4-morpholin-4-ylphenyl)-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 136963062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).