[4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone

C19H23FN4O2 — CID 95851627

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone
SMILESO=C(c1cc([C@H]2CCCNC2)no1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O2/c20-15-3-5-16(6-4-15)23-8-10-24(11-9-23)19(25)18-12-17(22-26-18)14-2-1-7-21-13-14/h3-6,12,14,21H,1-2,7-11,13H2/t14-/m0/s1
InChIKeyOMPYGTDHCLCQEQ-AWEZNQCLSA-N
MW358.42 g/mol
LogP2.24
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone (PubChem CID 95851627) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone
PubChem CID95851627
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone
SMILESO=C(c1cc([C@H]2CCCNC2)no1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O2/c20-15-3-5-16(6-4-15)23-8-10-24(11-9-23)19(25)18-12-17(22-26-18)14-2-1-7-21-13-14/h3-6,12,14,21H,1-2,7-11,13H2/t14-/m0/s1
InChIKeyOMPYGTDHCLCQEQ-AWEZNQCLSA-N
XLogP2.24
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 2769315
3-(2-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-5-carboxamide
CID 17096081
5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)isoxazole-3-carboxamide
CID 3243233
(3S,6S)-6-(4-fluorophenyl)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-piperazin-2-one
CID 60141394
(3S,6S)-6-(2-fluorophenyl)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-piperazin-2-one
CID 60141396
(3S,6S)-6-(3-fluorophenyl)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutylpiperazin-2-one
CID 60141539
(3S,6S)-4-(5-(4-Fluorophenyl)isoxazole-3-carbonyl)-3,6-diisobutylpiperazin-2-one
CID 60142635
(3S,6S)-4-(5-(2,4-difluorophenyl)isoxazole-3-carbonyl)-3,6-diisobutylpiperazin-2-one
CID 60142896
(3S,6S)-6-cyclopentyl-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-piperazin-2-one
CID 60142900
(3S,6S)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-6-isopropylpiperazin-2-one
CID 60143026
(3S,6S)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-6-phenylpiperazin-2-one
CID 60143027
(3S,6S)-6-cyclohexyl-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutylpiperazin-2-one
CID 68158230

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone (CID 95851627) is [4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone is O=C(c1cc([C@H]2CCCNC2)no1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone?
The InChIKey is OMPYGTDHCLCQEQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-15-3-5-16(6-4-15)23-8-10-24(11-9-23)19(25)18-12-17(22-26-18)14-2-1-7-21-13-14/h3-6,12,14,21H,1-2,7-11,13H2/t14-/m0/s1.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone has a molecular weight of 358.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[3-[(3S)-piperidin-3-yl]-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 95851627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).