N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H21N3O5 — CID 17496782

IUPACN-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1OCC
InChIInChI=1S/C22H21N3O5/c1-4-27-18-9-8-14(11-19(18)28-5-2)23-21(26)15-12-16(17-7-6-10-29-17)24-22-20(15)13(3)25-30-22/h6-12H,4-5H2,1-3H3,(H,23,26)
InChIKeyDSVGQOVXINXDAE-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.84
Rot. Bonds7

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

N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17496782) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID17496782
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC NameN-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1OCC
InChIInChI=1S/C22H21N3O5/c1-4-27-18-9-8-14(11-19(18)28-5-2)23-21(26)15-12-16(17-7-6-10-29-17)24-22-20(15)13(3)25-30-22/h6-12H,4-5H2,1-3H3,(H,23,26)
InChIKeyDSVGQOVXINXDAE-UHFFFAOYSA-N
XLogP4.84
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16621919
N-(5-acetamido-2-methoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17492785
N-[4-(dimethylamino)phenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17496786
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55610716
methyl 2-[[2-[4-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781629
N-(3-ethynylphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18147895
N-(2,3-dihydro-1-benzofuran-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 38588937
N-butyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46605297
6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55533054
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46416055
N-(3-fluoro-4-pyrazol-1-ylphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55820141

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 17496782) is N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DSVGQOVXINXDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-4-27-18-9-8-14(11-19(18)28-5-2)23-21(26)15-12-16(17-7-6-10-29-17)24-22-20(15)13(3)25-30-22/h6-12H,4-5H2,1-3H3,(H,23,26).
What are the key properties of N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17496782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).