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

C18H21FN4O2 — CID 126892826

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H21FN4O2/c1-13-17(10-20-25-13)18(24)23-11-16(12-23)22-8-6-21(7-9-22)15-4-2-14(19)3-5-15/h2-5,10,16H,6-9,11-12H2,1H3
InChIKeyRCKVLUPFPFXZAT-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.77
Rot. Bonds3

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

[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 126892826) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID126892826
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H21FN4O2/c1-13-17(10-20-25-13)18(24)23-11-16(12-23)22-8-6-21(7-9-22)15-4-2-14(19)3-5-15/h2-5,10,16H,6-9,11-12H2,1H3
InChIKeyRCKVLUPFPFXZAT-UHFFFAOYSA-N
XLogP1.77
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 126892876
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126892840
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 126892861
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 95401226
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24791035
(2,4-dimethylphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42513573
cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986014
4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 126892942
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 42241698
(3aR,7aS)-2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99989834
[(3S)-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 95552792

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 126892826) is [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is RCKVLUPFPFXZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-17(10-20-25-13)18(24)23-11-16(12-23)22-8-6-21(7-9-22)15-4-2-14(19)3-5-15/h2-5,10,16H,6-9,11-12H2,1H3.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 344.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 126892826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).