1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one

C24H22FN3O3 — CID 134690437

IUPAC1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1cc2ccc(-c3ccc(F)cc3)cn2c1-c1cocn1
InChIInChI=1S/C24H22FN3O3/c25-19-4-1-17(2-5-19)18-3-6-20-13-21(23(29)7-8-27-9-11-30-12-10-27)24(28(20)14-18)22-15-31-16-26-22/h1-6,13-16H,7-12H2
InChIKeyPRURYYOYIDJLCJ-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.31
Rot. Bonds6

About 1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one

1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 134690437) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID134690437
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1cc2ccc(-c3ccc(F)cc3)cn2c1-c1cocn1
InChIInChI=1S/C24H22FN3O3/c25-19-4-1-17(2-5-19)18-3-6-20-13-21(23(29)7-8-27-9-11-30-12-10-27)24(28(20)14-18)22-15-31-16-26-22/h1-6,13-16H,7-12H2
InChIKeyPRURYYOYIDJLCJ-UHFFFAOYSA-N
XLogP4.31
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one (CID 134690437) is 1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)c1cc2ccc(-c3ccc(F)cc3)cn2c1-c1cocn1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is PRURYYOYIDJLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-19-4-1-17(2-5-19)18-3-6-20-13-21(23(29)7-8-27-9-11-30-12-10-27)24(28(20)14-18)22-15-31-16-26-22/h1-6,13-16H,7-12H2.
What are the key properties of 1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one?
1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 419.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 134690437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).