[1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone

C21H17FN4O2 — CID 97362180

IUPAC[1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1)N1CCCO1
InChIInChI=1S/C21H17FN4O2/c22-17-5-2-15(3-6-17)16-4-7-18-8-9-20(24(18)14-16)25-12-10-19(23-25)21(27)26-11-1-13-28-26/h2-10,12,14H,1,11,13H2
InChIKeyYNUBDCIVYPJVCG-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.71
Rot. Bonds3

About [1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone

[1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97362180) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is [1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97362180
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name[1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1)N1CCCO1
InChIInChI=1S/C21H17FN4O2/c22-17-5-2-15(3-6-17)16-4-7-18-8-9-20(24(18)14-16)25-12-10-19(23-25)21(27)26-11-1-13-28-26/h2-10,12,14H,1,11,13H2
InChIKeyYNUBDCIVYPJVCG-UHFFFAOYSA-N
XLogP3.71
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97362180) is [1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone is O=C(c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1)N1CCCO1.
What is the InChIKey of [1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is YNUBDCIVYPJVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-17-5-2-15(3-6-17)16-4-7-18-8-9-20(24(18)14-16)25-12-10-19(23-25)21(27)26-11-1-13-28-26/h2-10,12,14H,1,11,13H2.
What are the key properties of [1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone?
[1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 376.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97362180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).