1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide

C20H28N4O5S — CID 55747308

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(OC(C)C)nc2)C1
InChIInChI=1S/C20H28N4O5S/c1-13(2)28-18-8-7-16(10-21-18)11-22-20(25)17-6-5-9-24(12-17)30(26,27)19-14(3)23-29-15(19)4/h7-8,10,13,17H,5-6,9,11-12H2,1-4H3,(H,22,25)
InChIKeyPUHHZLSCAZPMER-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.19
Rot. Bonds7

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 55747308) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID55747308
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(OC(C)C)nc2)C1
InChIInChI=1S/C20H28N4O5S/c1-13(2)28-18-8-7-16(10-21-18)11-22-20(25)17-6-5-9-24(12-17)30(26,27)19-14(3)23-29-15(19)4/h7-8,10,13,17H,5-6,9,11-12H2,1-4H3,(H,22,25)
InChIKeyPUHHZLSCAZPMER-UHFFFAOYSA-N
XLogP2.19
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20855589
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24533422
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25449303
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-2-phenylethyl)piperidine-3-carboxamide
CID 55456972
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463467
(3S)-N-benzyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92725019
(3R)-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92724998
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide
CID 55585660
N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55898022
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(3-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 55586189
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide (CID 55747308) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(OC(C)C)nc2)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is PUHHZLSCAZPMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-13(2)28-18-8-7-16(10-21-18)11-22-20(25)17-6-5-9-24(12-17)30(26,27)19-14(3)23-29-15(19)4/h7-8,10,13,17H,5-6,9,11-12H2,1-4H3,(H,22,25).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55747308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).