1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid

C17H10ClFN2O3S — CID 22394421

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid
SMILESO=C(O)c1c(F)c2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C17H10ClFN2O3S/c18-14-6-5-13(25-14)12-7-9(20-24-12)8-21-11-4-2-1-3-10(11)15(19)16(21)17(22)23/h1-7H,8H2,(H,22,23)
InChIKeyIFYZNYDATSTMIF-UHFFFAOYSA-N
MW376.80 g/mol
LogP4.90
Rot. Bonds4

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid (PubChem CID 22394421) has the molecular formula C17H10ClFN2O3S and a molecular weight of 376.80 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid
PubChem CID22394421
Molecular FormulaC17H10ClFN2O3S
Molecular Weight376.80 g/mol
Exact Mass376.01
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid
SMILESO=C(O)c1c(F)c2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C17H10ClFN2O3S/c18-14-6-5-13(25-14)12-7-9(20-24-12)8-21-11-4-2-1-3-10(11)15(19)16(21)17(22)23/h1-7H,8H2,(H,22,23)
InChIKeyIFYZNYDATSTMIF-UHFFFAOYSA-N
XLogP4.90
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid (CID 22394421) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid is O=C(O)c1c(F)c2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid?
The InChIKey is IFYZNYDATSTMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2O3S/c18-14-6-5-13(25-14)12-7-9(20-24-12)8-21-11-4-2-1-3-10(11)15(19)16(21)17(22)23/h1-7H,8H2,(H,22,23).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid has a molecular weight of 376.80 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid is sourced from PubChem (CID 22394421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).