1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

C23H25N3O5S — CID 1244666

IUPAC1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)o2)cc1
InChIInChI=1S/C23H25N3O5S/c1-2-30-18-10-8-17(9-11-18)21-25-22(32(28,29)19-6-4-3-5-7-19)23(31-21)26-14-12-16(13-15-26)20(24)27/h3-11,16H,2,12-15H2,1H3,(H2,24,27)
InChIKeyHIPVGXZAQYDRAK-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.27
Rot. Bonds7

About 1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 1244666) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID1244666
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)o2)cc1
InChIInChI=1S/C23H25N3O5S/c1-2-30-18-10-8-17(9-11-18)21-25-22(32(28,29)19-6-4-3-5-7-19)23(31-21)26-14-12-16(13-15-26)20(24)27/h3-11,16H,2,12-15H2,1H3,(H2,24,27)
InChIKeyHIPVGXZAQYDRAK-UHFFFAOYSA-N
XLogP3.27
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 1244666) is 1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is CCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)o2)cc1.
What is the InChIKey of 1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is HIPVGXZAQYDRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-2-30-18-10-8-17(9-11-18)21-25-22(32(28,29)19-6-4-3-5-7-19)23(31-21)26-14-12-16(13-15-26)20(24)27/h3-11,16H,2,12-15H2,1H3,(H2,24,27).
What are the key properties of 1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 1244666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).