[6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C19H12ClFN2O3 — CID 136963030

IUPAC[6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(F)cc4)cc23)on1
InChIInChI=1S/C19H12ClFN2O3/c1-9-6-16(26-23-9)18(24)17-13-7-12(10-2-4-11(21)5-3-10)14(20)8-15(13)22-19(17)25/h2-8,22,25H,1H3
InChIKeyIYZYQDJNGJMUMD-UHFFFAOYSA-N
MW370.77 g/mol
LogP4.86
Rot. Bonds3

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

[6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 136963030) has the molecular formula C19H12ClFN2O3 and a molecular weight of 370.77 g/mol. Its IUPAC name is [6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID136963030
Molecular FormulaC19H12ClFN2O3
Molecular Weight370.77 g/mol
Exact Mass370.05
IUPAC Name[6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(F)cc4)cc23)on1
InChIInChI=1S/C19H12ClFN2O3/c1-9-6-16(26-23-9)18(24)17-13-7-12(10-2-4-11(21)5-3-10)14(20)8-15(13)22-19(17)25/h2-8,22,25H,1H3
InChIKeyIYZYQDJNGJMUMD-UHFFFAOYSA-N
XLogP4.86
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 136963030) is [6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)c2c(O)[nH]c3cc(Cl)c(-c4ccc(F)cc4)cc23)on1.
What is the InChIKey of [6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is IYZYQDJNGJMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O3/c1-9-6-16(26-23-9)18(24)17-13-7-12(10-2-4-11(21)5-3-10)14(20)8-15(13)22-19(17)25/h2-8,22,25H,1H3.
What are the key properties of [6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 370.77 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-(4-fluorophenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 136963030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).