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

C19H12ClFN2O4 — CID 136963065

IUPAC[6-chloro-5-(4-fluoro-2-hydroxyphenyl)-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)cc4O)cc23)on1
InChIInChI=1S/C19H12ClFN2O4/c1-8-4-16(27-23-8)18(25)17-12-6-11(10-3-2-9(21)5-15(10)24)13(20)7-14(12)22-19(17)26/h2-7,22,24,26H,1H3
InChIKeyORPWKMJVWQECJA-UHFFFAOYSA-N
MW386.77 g/mol
LogP4.57
Rot. Bonds3

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

[6-chloro-5-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 136963065) has the molecular formula C19H12ClFN2O4 and a molecular weight of 386.77 g/mol. Its IUPAC name is [6-chloro-5-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[6-chloro-5-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID136963065
Molecular FormulaC19H12ClFN2O4
Molecular Weight386.77 g/mol
Exact Mass386.05
IUPAC Name[6-chloro-5-(4-fluoro-2-hydroxyphenyl)-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)cc4O)cc23)on1
InChIInChI=1S/C19H12ClFN2O4/c1-8-4-16(27-23-8)18(25)17-12-6-11(10-3-2-9(21)5-15(10)24)13(20)7-14(12)22-19(17)26/h2-7,22,24,26H,1H3
InChIKeyORPWKMJVWQECJA-UHFFFAOYSA-N
XLogP4.57
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.77
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [6-chloro-5-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 136963065) is [6-chloro-5-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [6-chloro-5-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [6-chloro-5-(4-fluoro-2-hydroxyphenyl)-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)cc4O)cc23)on1.
What is the InChIKey of [6-chloro-5-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is ORPWKMJVWQECJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O4/c1-8-4-16(27-23-8)18(25)17-12-6-11(10-3-2-9(21)5-15(10)24)13(20)7-14(12)22-19(17)26/h2-7,22,24,26H,1H3.
What are the key properties of [6-chloro-5-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[6-chloro-5-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 386.77 g/mol, XLogP of 4.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 136963065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).