4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole

C18H13FN2O — CID 23325476

IUPAC4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H13FN2O/c1-11-17(18(21-22-11)12-5-3-2-4-6-12)16-10-13-9-14(19)7-8-15(13)20-16/h2-10,20H,1H3
InChIKeyCJPXMBPHOMBKHI-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.94
Rot. Bonds2

About 4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole

4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 23325476) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole
PubChem CID23325476
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H13FN2O/c1-11-17(18(21-22-11)12-5-3-2-4-6-12)16-10-13-9-14(19)7-8-15(13)20-16/h2-10,20H,1H3
InChIKeyCJPXMBPHOMBKHI-UHFFFAOYSA-N
XLogP4.94
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole (CID 23325476) is 4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is CJPXMBPHOMBKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c1-11-17(18(21-22-11)12-5-3-2-4-6-12)16-10-13-9-14(19)7-8-15(13)20-16/h2-10,20H,1H3.
What are the key properties of 4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole?
4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 292.31 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 23325476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).