[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate

C19H13FN2O3 — CID 45497915

IUPAC[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2F)on1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13FN2O3/c20-16-7-3-1-6-14(16)18-9-12(22-25-18)11-24-19(23)15-10-21-17-8-4-2-5-13(15)17/h1-10,21H,11H2
InChIKeyVWCVRKIDHLMMGX-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.32
Rot. Bonds4

About [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate

[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate (PubChem CID 45497915) has the molecular formula C19H13FN2O3 and a molecular weight of 336.32 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate
PubChem CID45497915
Molecular FormulaC19H13FN2O3
Molecular Weight336.32 g/mol
Exact Mass336.09
IUPAC Name[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2F)on1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13FN2O3/c20-16-7-3-1-6-14(16)18-9-12(22-25-18)11-24-19(23)15-10-21-17-8-4-2-5-13(15)17/h1-10,21H,11H2
InChIKeyVWCVRKIDHLMMGX-UHFFFAOYSA-N
XLogP4.32
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate?
The IUPAC name of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate (CID 45497915) is [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate.
What is the SMILES notation for [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate?
The canonical SMILES for [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate is O=C(OCc1cc(-c2ccccc2F)on1)c1c[nH]c2ccccc12.
What is the InChIKey of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate?
The InChIKey is VWCVRKIDHLMMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3/c20-16-7-3-1-6-14(16)18-9-12(22-25-18)11-24-19(23)15-10-21-17-8-4-2-5-13(15)17/h1-10,21H,11H2.
What are the key properties of [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate?
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate has a molecular weight of 336.32 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 1H-indole-3-carboxylate is sourced from PubChem (CID 45497915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).