1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide

C21H25N3O6S — CID 55451606

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N(Cc2ccco2)Cc2ccco2)C1
InChIInChI=1S/C21H25N3O6S/c1-15-20(16(2)30-22-15)31(26,27)24-9-3-6-17(12-24)21(25)23(13-18-7-4-10-28-18)14-19-8-5-11-29-19/h4-5,7-8,10-11,17H,3,6,9,12-14H2,1-2H3
InChIKeyVOQKACXEPCUFJM-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.11
Rot. Bonds7

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 55451606) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID55451606
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N(Cc2ccco2)Cc2ccco2)C1
InChIInChI=1S/C21H25N3O6S/c1-15-20(16(2)30-22-15)31(26,27)24-9-3-6-17(12-24)21(25)23(13-18-7-4-10-28-18)14-19-8-5-11-29-19/h4-5,7-8,10-11,17H,3,6,9,12-14H2,1-2H3
InChIKeyVOQKACXEPCUFJM-UHFFFAOYSA-N
XLogP3.11
TPSA110.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethylpiperidine-3-carboxamide
CID 55455255
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 51265846
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
CID 78851154
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55664490
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
CID 86833522
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 55560315
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55588365
cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide (CID 55451606) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N(Cc2ccco2)Cc2ccco2)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is VOQKACXEPCUFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-15-20(16(2)30-22-15)31(26,27)24-9-3-6-17(12-24)21(25)23(13-18-7-4-10-28-18)14-19-8-5-11-29-19/h4-5,7-8,10-11,17H,3,6,9,12-14H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 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,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55451606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).