4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole

C17H16FN3O3S — CID 24784321

IUPAC4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole
SMILESO=S(=O)(c1ccc(F)cc1)c1cccc2oc(N3CCNCC3)nc12
InChIInChI=1S/C17H16FN3O3S/c18-12-4-6-13(7-5-12)25(22,23)15-3-1-2-14-16(15)20-17(24-14)21-10-8-19-9-11-21/h1-7,19H,8-11H2
InChIKeyNHHSRTALXZZTQG-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.21
Rot. Bonds3

About 4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole

4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole (PubChem CID 24784321) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole
PubChem CID24784321
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole
SMILESO=S(=O)(c1ccc(F)cc1)c1cccc2oc(N3CCNCC3)nc12
InChIInChI=1S/C17H16FN3O3S/c18-12-4-6-13(7-5-12)25(22,23)15-3-1-2-14-16(15)20-17(24-14)21-10-8-19-9-11-21/h1-7,19H,8-11H2
InChIKeyNHHSRTALXZZTQG-UHFFFAOYSA-N
XLogP2.21
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole (CID 24784321) is 4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole is O=S(=O)(c1ccc(F)cc1)c1cccc2oc(N3CCNCC3)nc12.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole?
The InChIKey is NHHSRTALXZZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c18-12-4-6-13(7-5-12)25(22,23)15-3-1-2-14-16(15)20-17(24-14)21-10-8-19-9-11-21/h1-7,19H,8-11H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole?
4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole has a molecular weight of 361.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2-piperazin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 24784321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).