[4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C14H20FN3O2 — CID 126856147

IUPAC[4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCN(C2CCCC2F)CC1
InChIInChI=1S/C14H20FN3O2/c1-10-11(9-16-20-10)14(19)18-7-5-17(6-8-18)13-4-2-3-12(13)15/h9,12-13H,2-8H2,1H3
InChIKeyDVSRKNZSYPNERP-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.63
Rot. Bonds2

About [4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 126856147) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is [4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID126856147
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name[4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCN(C2CCCC2F)CC1
InChIInChI=1S/C14H20FN3O2/c1-10-11(9-16-20-10)14(19)18-7-5-17(6-8-18)13-4-2-3-12(13)15/h9,12-13H,2-8H2,1H3
InChIKeyDVSRKNZSYPNERP-UHFFFAOYSA-N
XLogP1.63
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
(4-hydroxyiminopiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 24702028
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334399
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 126892826
(3-aminoazetidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 65244931
(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 79868336
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 115307102
[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 72933270
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 107109147
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68603200
(5-methyl-1,2-oxazol-4-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241557
(5-methyl-1,2-oxazol-4-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333073

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 126856147) is [4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CCN(C2CCCC2F)CC1.
What is the InChIKey of [4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is DVSRKNZSYPNERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10-11(9-16-20-10)14(19)18-7-5-17(6-8-18)13-4-2-3-12(13)15/h9,12-13H,2-8H2,1H3.
What are the key properties of [4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 281.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorocyclopentyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 126856147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).