2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid

C23H21FN2O4 — CID 11258318

IUPAC2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid
SMILESCc1oc(-c2ccc(F)cc2)nc1COc1ccc2c(ccn2C(C)(C)C(=O)O)c1
InChIInChI=1S/C23H21FN2O4/c1-14-19(25-21(30-14)15-4-6-17(24)7-5-15)13-29-18-8-9-20-16(12-18)10-11-26(20)23(2,3)22(27)28/h4-12H,13H2,1-3H3,(H,27,28)
InChIKeyHEOOBUVYCUYYNJ-UHFFFAOYSA-N
MW408.43 g/mol
LogP5.14
Rot. Bonds6

About 2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid

2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid (PubChem CID 11258318) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid
PubChem CID11258318
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid
SMILESCc1oc(-c2ccc(F)cc2)nc1COc1ccc2c(ccn2C(C)(C)C(=O)O)c1
InChIInChI=1S/C23H21FN2O4/c1-14-19(25-21(30-14)15-4-6-17(24)7-5-15)13-29-18-8-9-20-16(12-18)10-11-26(20)23(2,3)22(27)28/h4-12H,13H2,1-3H3,(H,27,28)
InChIKeyHEOOBUVYCUYYNJ-UHFFFAOYSA-N
XLogP5.14
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid (CID 11258318) is 2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid is Cc1oc(-c2ccc(F)cc2)nc1COc1ccc2c(ccn2C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid?
The InChIKey is HEOOBUVYCUYYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-14-19(25-21(30-14)15-4-6-17(24)7-5-15)13-29-18-8-9-20-16(12-18)10-11-26(20)23(2,3)22(27)28/h4-12H,13H2,1-3H3,(H,27,28).
What are the key properties of 2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid?
2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid has a molecular weight of 408.43 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 11258318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).