3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid

C17H17N3O5 — CID 119351483

IUPAC3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
SMILESCc1cc(-c2cc(C(=O)NCCC(=O)O)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C17H17N3O5/c1-8-6-11(10(3)24-8)13-7-12(16(23)18-5-4-14(21)22)15-9(2)20-25-17(15)19-13/h6-7H,4-5H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyMGQDMGCMKUAQNN-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.61
Rot. Bonds5

About 3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid

3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid (PubChem CID 119351483) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
PubChem CID119351483
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
SMILESCc1cc(-c2cc(C(=O)NCCC(=O)O)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C17H17N3O5/c1-8-6-11(10(3)24-8)13-7-12(16(23)18-5-4-14(21)22)15-9(2)20-25-17(15)19-13/h6-7H,4-5H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyMGQDMGCMKUAQNN-UHFFFAOYSA-N
XLogP2.61
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
2-[2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526470
methyl 7-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]heptanoate
CID 36624558
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
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)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119349124
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-(propylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24617816
N-[2-(benzylamino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46437325
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86836173
N-(3,5-dimethoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42089730

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid (CID 119351483) is 3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid is Cc1cc(-c2cc(C(=O)NCCC(=O)O)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
The InChIKey is MGQDMGCMKUAQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-8-6-11(10(3)24-8)13-7-12(16(23)18-5-4-14(21)22)15-9(2)20-25-17(15)19-13/h6-7H,4-5H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of 3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid has a molecular weight of 343.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119351483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).