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

C20H19N3O3S — CID 18145099

IUPAC6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C)c3cccs3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C20H19N3O3S/c1-10-8-14(13(4)25-10)16-9-15(18-12(3)23-26-20(18)22-16)19(24)21-11(2)17-6-5-7-27-17/h5-9,11H,1-4H3,(H,21,24)
InChIKeyINXVPBCNWHEOCQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.96
Rot. Bonds4

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

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18145099) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18145099
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C)c3cccs3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C20H19N3O3S/c1-10-8-14(13(4)25-10)16-9-15(18-12(3)23-26-20(18)22-16)19(24)21-11(2)17-6-5-7-27-17/h5-9,11H,1-4H3,(H,21,24)
InChIKeyINXVPBCNWHEOCQ-UHFFFAOYSA-N
XLogP4.96
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119349124
3-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112806948
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24588160
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47060180
6-(2,5-dimethylfuran-3-yl)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
N-(1-aminohexan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119666847
3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119351483
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-(2-phenoxyethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32934602
6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55869238
3-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94175732

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 18145099) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NC(C)c3cccs3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is INXVPBCNWHEOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-10-8-14(13(4)25-10)16-9-15(18-12(3)23-26-20(18)22-16)19(24)21-11(2)17-6-5-7-27-17/h5-9,11H,1-4H3,(H,21,24).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18145099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).