N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H23N3O5 — CID 35700889

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C24H23N3O5/c1-13-9-17(15(3)31-13)19-11-18(22-14(2)26-32-23(22)25-19)24(28)27(4)12-16-5-6-20-21(10-16)30-8-7-29-20/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyFSJHWEKMAUNMBB-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.45
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 35700889) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID35700889
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C24H23N3O5/c1-13-9-17(15(3)31-13)19-11-18(22-14(2)26-32-23(22)25-19)24(28)27(4)12-16-5-6-20-21(10-16)30-8-7-29-20/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyFSJHWEKMAUNMBB-UHFFFAOYSA-N
XLogP4.45
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24588152
6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119442897
(4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18145006
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylfuran-3-carboxamide
CID 34764238
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55505337
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95351429
6-(2,5-dimethylfuran-3-yl)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46698480
3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119351483
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35701623

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 35700889) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FSJHWEKMAUNMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-13-9-17(15(3)31-13)19-11-18(22-14(2)26-32-23(22)25-19)24(28)27(4)12-16-5-6-20-21(10-16)30-8-7-29-20/h5-6,9-11H,7-8,12H2,1-4H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35700889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).