2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole

C21H14F2N4O — CID 58200687

IUPAC2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole
SMILESCn1nc(-c2ncco2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C21H14F2N4O/c1-27-19(11-18(26-27)21-24-7-8-28-21)12-5-6-16-13(9-12)10-17(25-16)20-14(22)3-2-4-15(20)23/h2-11,25H,1H3
InChIKeyNLJDNMZGANLKRZ-UHFFFAOYSA-N
MW376.37 g/mol
LogP5.17
Rot. Bonds3

About 2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole

2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole (PubChem CID 58200687) has the molecular formula C21H14F2N4O and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole
PubChem CID58200687
Molecular FormulaC21H14F2N4O
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Name2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole
SMILESCn1nc(-c2ncco2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C21H14F2N4O/c1-27-19(11-18(26-27)21-24-7-8-28-21)12-5-6-16-13(9-12)10-17(25-16)20-14(22)3-2-4-15(20)23/h2-11,25H,1H3
InChIKeyNLJDNMZGANLKRZ-UHFFFAOYSA-N
XLogP5.17
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.37
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole (CID 58200687) is 2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole is Cn1nc(-c2ncco2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole?
The InChIKey is NLJDNMZGANLKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O/c1-27-19(11-18(26-27)21-24-7-8-28-21)12-5-6-16-13(9-12)10-17(25-16)20-14(22)3-2-4-15(20)23/h2-11,25H,1H3.
What are the key properties of 2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole?
2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole has a molecular weight of 376.37 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 58200687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).