1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide

C18H21N5O4S — CID 55517518

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C18H21N5O4S/c1-11-17(12(2)27-22-11)28(25,26)23-7-5-13(6-8-23)18(24)20-15-3-4-16-14(9-15)10-19-21-16/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyXEEDCQLRFXNFHI-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.21
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide (PubChem CID 55517518) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
PubChem CID55517518
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C18H21N5O4S/c1-11-17(12(2)27-22-11)28(25,26)23-7-5-13(6-8-23)18(24)20-15-3-4-16-14(9-15)10-19-21-16/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyXEEDCQLRFXNFHI-UHFFFAOYSA-N
XLogP2.21
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 15990507
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 36671702
N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26715661
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26923126
N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26692913
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9087310
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 22109175
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 26688834
(3S)-N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 27896491
1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 117073818
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 24532822
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide (CID 55517518) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
The InChIKey is XEEDCQLRFXNFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-11-17(12(2)27-22-11)28(25,26)23-7-5-13(6-8-23)18(24)20-15-3-4-16-14(9-15)10-19-21-16/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,21)(H,20,24).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55517518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).