[6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

C26H19FN2O6 — CID 136963005

IUPAC[6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)c2c(O)[nH]c3cc(F)c(-c4ccc(-c5cccc(OC)c5O)cc4)cc23)on1
InChIInChI=1S/C26H19FN2O6/c1-33-20-5-3-4-15(24(20)30)13-6-8-14(9-7-13)16-10-17-19(11-18(16)27)28-26(32)23(17)25(31)21-12-22(34-2)29-35-21/h3-12,28,30,32H,1-2H3
InChIKeyOGOWVHAGRSJKOZ-UHFFFAOYSA-N
MW474.44 g/mol
LogP5.29
Rot. Bonds6

About [6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

[6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 136963005) has the molecular formula C26H19FN2O6 and a molecular weight of 474.44 g/mol. Its IUPAC name is [6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID136963005
Molecular FormulaC26H19FN2O6
Molecular Weight474.44 g/mol
Exact Mass474.12
IUPAC Name[6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)c2c(O)[nH]c3cc(F)c(-c4ccc(-c5cccc(OC)c5O)cc4)cc23)on1
InChIInChI=1S/C26H19FN2O6/c1-33-20-5-3-4-15(24(20)30)13-6-8-14(9-7-13)16-10-17-19(11-18(16)27)28-26(32)23(17)25(31)21-12-22(34-2)29-35-21/h3-12,28,30,32H,1-2H3
InChIKeyOGOWVHAGRSJKOZ-UHFFFAOYSA-N
XLogP5.29
TPSA117.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.44
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of [6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 136963005) is [6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)c2c(O)[nH]c3cc(F)c(-c4ccc(-c5cccc(OC)c5O)cc4)cc23)on1.
What is the InChIKey of [6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is OGOWVHAGRSJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O6/c1-33-20-5-3-4-15(24(20)30)13-6-8-14(9-7-13)16-10-17-19(11-18(16)27)28-26(32)23(17)25(31)21-12-22(34-2)29-35-21/h3-12,28,30,32H,1-2H3.
What are the key properties of [6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
[6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 474.44 g/mol, XLogP of 5.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-hydroxy-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-1H-indol-3-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 136963005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).