1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C20H23FN4O4 — CID 55638017

IUPAC1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C20H23FN4O4/c21-16-4-2-1-3-15(16)18-13-17(22-29-18)20(27)25-7-5-24(6-8-25)19(26)14-23-9-11-28-12-10-23/h1-4,13H,5-12,14H2
InChIKeyZZHYALWIZPWZPI-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.10
Rot. Bonds4

About 1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55638017) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55638017
Molecular FormulaC20H23FN4O4
Molecular Weight402.43 g/mol
Exact Mass402.17
IUPAC Name1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C20H23FN4O4/c21-16-4-2-1-3-15(16)18-13-17(22-29-18)20(27)25-7-5-24(6-8-25)19(26)14-23-9-11-28-12-10-23/h1-4,13H,5-12,14H2
InChIKeyZZHYALWIZPWZPI-UHFFFAOYSA-N
XLogP1.10
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55637992
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39959005
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 55637912
1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55759044
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95382971
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 1093832
5-(2-fluorophenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 37342413
1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 138998600
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 37317671
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
1-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671529
5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 1093869

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 55638017) is 1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1.
What is the InChIKey of 1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is ZZHYALWIZPWZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4/c21-16-4-2-1-3-15(16)18-13-17(22-29-18)20(27)25-7-5-24(6-8-25)19(26)14-23-9-11-28-12-10-23/h1-4,13H,5-12,14H2.
What are the key properties of 1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 402.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55638017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).