1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione

C18H19FN2O4 — CID 147732391

IUPAC1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCOCC1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C18H19FN2O4/c19-14-6-4-13(5-7-14)17-12-15(20-25-17)16(22)2-1-3-18(23)21-8-10-24-11-9-21/h4-7,12H,1-3,8-11H2
InChIKeyGYRLTNFGQMBOFJ-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.69
Rot. Bonds6

About 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione

1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione (PubChem CID 147732391) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione
PubChem CID147732391
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCOCC1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C18H19FN2O4/c19-14-6-4-13(5-7-14)17-12-15(20-25-17)16(22)2-1-3-18(23)21-8-10-24-11-9-21/h4-7,12H,1-3,8-11H2
InChIKeyGYRLTNFGQMBOFJ-UHFFFAOYSA-N
XLogP2.69
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
CID 58128796
5-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
CID 121255629
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(4S,5S)-4-hydroxy-5-morpholin-4-ylazepan-1-yl]methanone
CID 110164372
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878776
1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
CID 110304886
1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide
CID 147015573
5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 131955030
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-4-morpholin-4-ylbutan-1-one
CID 159034449
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103295108
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione (CID 147732391) is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione is O=C(CCCC(=O)N1CCOCC1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione?
The InChIKey is GYRLTNFGQMBOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c19-14-6-4-13(5-7-14)17-12-15(20-25-17)16(22)2-1-3-18(23)21-8-10-24-11-9-21/h4-7,12H,1-3,8-11H2.
What are the key properties of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione?
1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione has a molecular weight of 346.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-morpholin-4-ylpentane-1,5-dione is sourced from PubChem (CID 147732391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).