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

C19H25N3O4S — CID 51146569

IUPAC[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)on3)CC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-4-14(2)16-5-7-17(8-6-16)27(24,25)22-11-9-21(10-12-22)19(23)18-13-15(3)26-20-18/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyNZMDCLRFMKNLTN-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.64
Rot. Bonds5

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

[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 51146569) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID51146569
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)on3)CC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-4-14(2)16-5-7-17(8-6-16)27(24,25)22-11-9-21(10-12-22)19(23)18-13-15(3)26-20-18/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyNZMDCLRFMKNLTN-UHFFFAOYSA-N
XLogP2.64
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 7944164
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 42905627
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51154217
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 43022485
(5-methyl-1,2-oxazol-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 55339444
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone
CID 43011136
5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 51245978
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 51224909
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110645794
[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 26677296

Frequently Asked Questions

What is the IUPAC name of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 51146569) is [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is CCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)on3)CC2)cc1.
What is the InChIKey of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is NZMDCLRFMKNLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-4-14(2)16-5-7-17(8-6-16)27(24,25)22-11-9-21(10-12-22)19(23)18-13-15(3)26-20-18/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 391.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 51146569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).