N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H23FN4O4S — CID 9207355

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O4S/c1-13-18(14(2)27-21-13)28(25,26)20-8-7-17(24)23-11-9-22(10-12-23)16-5-3-15(19)4-6-16/h3-6,20H,7-12H2,1-2H3
InChIKeyVJHISHVUZCYUQB-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.45
Rot. Bonds6

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 9207355) has the molecular formula C18H23FN4O4S and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID9207355
Molecular FormulaC18H23FN4O4S
Molecular Weight410.47 g/mol
Exact Mass410.14
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O4S/c1-13-18(14(2)27-21-13)28(25,26)20-8-7-17(24)23-11-9-22(10-12-23)16-5-3-15(19)4-6-16/h3-6,20H,7-12H2,1-2H3
InChIKeyVJHISHVUZCYUQB-UHFFFAOYSA-N
XLogP1.45
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 40710414
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 26680947
4-fluoro-N-[3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55956692
N-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 38046295
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6625085
3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 110618333
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 9426987
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20855591
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 126892897
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9402713

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 9207355) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is VJHISHVUZCYUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4S/c1-13-18(14(2)27-21-13)28(25,26)20-8-7-17(24)23-11-9-22(10-12-23)16-5-3-15(19)4-6-16/h3-6,20H,7-12H2,1-2H3.
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 410.47 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 9207355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).