1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide

C20H23N5O4S — CID 53085519

IUPAC1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4ccno4)c3)CC2)c1
InChIInChI=1S/C20H23N5O4S/c1-2-24-13-19(21-14-24)30(27,28)25-10-7-15(8-11-25)20(26)23-17-5-3-4-16(12-17)18-6-9-22-29-18/h3-6,9,12-15H,2,7-8,10-11H2,1H3,(H,23,26)
InChIKeyNHRIWFBGYCNGQC-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.60
Rot. Bonds6

About 1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide

1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide (PubChem CID 53085519) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide
PubChem CID53085519
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4ccno4)c3)CC2)c1
InChIInChI=1S/C20H23N5O4S/c1-2-24-13-19(21-14-24)30(27,28)25-10-7-15(8-11-25)20(26)23-17-5-3-4-16(12-17)18-6-9-22-29-18/h3-6,9,12-15H,2,7-8,10-11H2,1H3,(H,23,26)
InChIKeyNHRIWFBGYCNGQC-UHFFFAOYSA-N
XLogP2.60
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide (CID 53085519) is 1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide is CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4ccno4)c3)CC2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is NHRIWFBGYCNGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-2-24-13-19(21-14-24)30(27,28)25-10-7-15(8-11-25)20(26)23-17-5-3-4-16(12-17)18-6-9-22-29-18/h3-6,9,12-15H,2,7-8,10-11H2,1H3,(H,23,26).
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 53085519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).