[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C15H16FN3O2 — CID 30402898

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)co1
InChIInChI=1S/C15H16FN3O2/c1-11-17-14(10-21-11)15(20)19-8-6-18(7-9-19)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3
InChIKeyXJEKKCASTAVRHW-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.08
Rot. Bonds2

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

[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 30402898) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID30402898
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)co1
InChIInChI=1S/C15H16FN3O2/c1-11-17-14(10-21-11)15(20)19-8-6-18(7-9-19)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3
InChIKeyXJEKKCASTAVRHW-UHFFFAOYSA-N
XLogP2.08
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42850996
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90514908
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402904
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392830
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986635
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51240546
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 84573425
1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione
CID 137468063
[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126896440
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387944
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 30402898) is [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)co1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is XJEKKCASTAVRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-11-17-14(10-21-11)15(20)19-8-6-18(7-9-19)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 289.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 30402898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).