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

C18H22FN3O4S — CID 9156672

IUPAC[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H22FN3O4S/c1-12(2)17-16(13(3)20-26-17)18(23)21-7-9-22(10-8-21)27(24,25)15-6-4-5-14(19)11-15/h4-6,11-12H,7-10H2,1-3H3
InChIKeyICFLUGZNFVLWHH-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.39
Rot. Bonds4

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

[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 9156672) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID9156672
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC Name[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H22FN3O4S/c1-12(2)17-16(13(3)20-26-17)18(23)21-7-9-22(10-8-21)27(24,25)15-6-4-5-14(19)11-15/h4-6,11-12H,7-10H2,1-3H3
InChIKeyICFLUGZNFVLWHH-UHFFFAOYSA-N
XLogP2.39
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 26261127
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
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[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 78831717
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9326894
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CID 110608660
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone
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[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 9369945
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8574219
4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 18284426
N-(4-fluorophenyl)-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazine-1-carboxamide
CID 37443505
4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 9156672) is [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is Cc1noc(C(C)C)c1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is ICFLUGZNFVLWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-12(2)17-16(13(3)20-26-17)18(23)21-7-9-22(10-8-21)27(24,25)15-6-4-5-14(19)11-15/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 395.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 9156672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).