N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide

C27H26N4O5S — CID 166167453

IUPACN-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(S(=O)(=O)c5ccccc5)CC4)no3)c2O)cc1
InChIInChI=1S/C27H26N4O5S/c1-19(32)28-21-12-10-20(11-13-21)23-8-5-9-24(27(23)33)25-18-26(29-36-25)30-14-16-31(17-15-30)37(34,35)22-6-3-2-4-7-22/h2-13,18,33H,14-17H2,1H3,(H,28,32)
InChIKeyLDOAZGGRINJOKW-UHFFFAOYSA-N
MW518.60 g/mol
LogP4.18
Rot. Bonds6

About N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide

N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide (PubChem CID 166167453) has the molecular formula C27H26N4O5S and a molecular weight of 518.60 g/mol. Its IUPAC name is N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide
PubChem CID166167453
Molecular FormulaC27H26N4O5S
Molecular Weight518.60 g/mol
Exact Mass518.16
IUPAC NameN-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(S(=O)(=O)c5ccccc5)CC4)no3)c2O)cc1
InChIInChI=1S/C27H26N4O5S/c1-19(32)28-21-12-10-20(11-13-21)23-8-5-9-24(27(23)33)25-18-26(29-36-25)30-14-16-31(17-15-30)37(34,35)22-6-3-2-4-7-22/h2-13,18,33H,14-17H2,1H3,(H,28,32)
InChIKeyLDOAZGGRINJOKW-UHFFFAOYSA-N
XLogP4.18
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide (CID 166167453) is N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(S(=O)(=O)c5ccccc5)CC4)no3)c2O)cc1.
What is the InChIKey of N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide?
The InChIKey is LDOAZGGRINJOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5S/c1-19(32)28-21-12-10-20(11-13-21)23-8-5-9-24(27(23)33)25-18-26(29-36-25)30-14-16-31(17-15-30)37(34,35)22-6-3-2-4-7-22/h2-13,18,33H,14-17H2,1H3,(H,28,32).
What are the key properties of N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide?
N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide has a molecular weight of 518.60 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide is sourced from PubChem (CID 166167453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).