N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide

C23H29N5O5S — CID 55599282

IUPACN-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N3CCN(S(=O)(=O)N(C)C4CCCCC4)CC3)c12
InChIInChI=1S/C23H29N5O5S/c1-16-21-18(15-19(20-9-6-14-32-20)24-22(21)33-25-16)23(29)27-10-12-28(13-11-27)34(30,31)26(2)17-7-4-3-5-8-17/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3
InChIKeyHCHZLHCJURGRGX-UHFFFAOYSA-N
MW487.58 g/mol
LogP3.06
Rot. Bonds5

About N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide

N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide (PubChem CID 55599282) has the molecular formula C23H29N5O5S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide
PubChem CID55599282
Molecular FormulaC23H29N5O5S
Molecular Weight487.58 g/mol
Exact Mass487.19
IUPAC NameN-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N3CCN(S(=O)(=O)N(C)C4CCCCC4)CC3)c12
InChIInChI=1S/C23H29N5O5S/c1-16-21-18(15-19(20-9-6-14-32-20)24-22(21)33-25-16)23(29)27-10-12-28(13-11-27)34(30,31)26(2)17-7-4-3-5-8-17/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3
InChIKeyHCHZLHCJURGRGX-UHFFFAOYSA-N
XLogP3.06
TPSA112.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide (CID 55599282) is N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide is Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCN(S(=O)(=O)N(C)C4CCCCC4)CC3)c12.
What is the InChIKey of N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide?
The InChIKey is HCHZLHCJURGRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5S/c1-16-21-18(15-19(20-9-6-14-32-20)24-22(21)33-25-16)23(29)27-10-12-28(13-11-27)34(30,31)26(2)17-7-4-3-5-8-17/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3.
What are the key properties of N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide?
N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide has a molecular weight of 487.58 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 55599282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).