1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide

C18H21N5O4S — CID 24669324

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2cccc3cn[nH]c23)C1
InChIInChI=1S/C18H21N5O4S/c1-11-17(12(2)27-22-11)28(25,26)23-8-4-6-14(10-23)18(24)20-15-7-3-5-13-9-19-21-16(13)15/h3,5,7,9,14H,4,6,8,10H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyGOUDFYVZQZSWDV-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.21
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide (PubChem CID 24669324) 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-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide
PubChem CID24669324
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2cccc3cn[nH]c23)C1
InChIInChI=1S/C18H21N5O4S/c1-11-17(12(2)27-22-11)28(25,26)23-8-4-6-14(10-23)18(24)20-15-7-3-5-13-9-19-21-16(13)15/h3,5,7,9,14H,4,6,8,10H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyGOUDFYVZQZSWDV-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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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide (CID 24669324) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2cccc3cn[nH]c23)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide?
The InChIKey is GOUDFYVZQZSWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-11-17(12(2)27-22-11)28(25,26)23-8-4-6-14(10-23)18(24)20-15-7-3-5-13-9-19-21-16(13)15/h3,5,7,9,14H,4,6,8,10H2,1-2H3,(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-7-yl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-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-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 24669324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).