N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H27N3O5S — CID 55505366

IUPACN-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCN(C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H27N3O5S/c1-5-6-8-25(16-7-9-31(27,28)12-16)22(26)18-11-19(17-10-13(2)29-15(17)4)23-21-20(18)14(3)24-30-21/h10-11,16H,5-9,12H2,1-4H3
InChIKeySSLBCKPLPCSEIK-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.84
Rot. Bonds6

About N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55505366) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55505366
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCN(C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H27N3O5S/c1-5-6-8-25(16-7-9-31(27,28)12-16)22(26)18-11-19(17-10-13(2)29-15(17)4)23-21-20(18)14(3)24-30-21/h10-11,16H,5-9,12H2,1-4H3
InChIKeySSLBCKPLPCSEIK-UHFFFAOYSA-N
XLogP3.84
TPSA106.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119442897
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 134026793
[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 51322251
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55596779
[2-oxo-2-(pentylamino)ethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35733201
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 75866800
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
5-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methylbenzamide
CID 120617449
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
6-(2,5-dimethylfuran-3-yl)-N-[(4S)-4-hydroxyhexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95784639
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119388168
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55521334

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55505366) is N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCCN(C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SSLBCKPLPCSEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-5-6-8-25(16-7-9-31(27,28)12-16)22(26)18-11-19(17-10-13(2)29-15(17)4)23-21-20(18)14(3)24-30-21/h10-11,16H,5-9,12H2,1-4H3.
What are the key properties of N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(2,5-dimethylfuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55505366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).