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

C17H23FN4O3S — CID 6621650

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H23FN4O3S/c1-13-17(14(2)25-20-13)26(23,24)19-7-8-21-9-11-22(12-10-21)16-6-4-3-5-15(16)18/h3-6,19H,7-12H2,1-2H3
InChIKeyMSEDAPSOJUHACX-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.53
Rot. Bonds6

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

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 6621650) has the molecular formula C17H23FN4O3S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID6621650
Molecular FormulaC17H23FN4O3S
Molecular Weight382.46 g/mol
Exact Mass382.15
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H23FN4O3S/c1-13-17(14(2)25-20-13)26(23,24)19-7-8-21-9-11-22(12-10-21)16-6-4-3-5-15(16)18/h3-6,19H,7-12H2,1-2H3
InChIKeyMSEDAPSOJUHACX-UHFFFAOYSA-N
XLogP1.53
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 6621650) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MSEDAPSOJUHACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3S/c1-13-17(14(2)25-20-13)26(23,24)19-7-8-21-9-11-22(12-10-21)16-6-4-3-5-15(16)18/h3-6,19H,7-12H2,1-2H3.
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 382.46 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 6621650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).