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

C17H17N3O5 — CID 119349124

IUPAC2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
SMILESCc1cc(-c2cc(C(=O)NC(C)C(=O)O)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C17H17N3O5/c1-7-5-11(10(4)24-7)13-6-12(15(21)18-9(3)17(22)23)14-8(2)20-25-16(14)19-13/h5-6,9H,1-4H3,(H,18,21)(H,22,23)
InChIKeySJRVMSAHWZKQOZ-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.61
Rot. Bonds4

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

2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid (PubChem CID 119349124) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
PubChem CID119349124
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
SMILESCc1cc(-c2cc(C(=O)NC(C)C(=O)O)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C17H17N3O5/c1-7-5-11(10(4)24-7)13-6-12(15(21)18-9(3)17(22)23)14-8(2)20-25-16(14)19-13/h5-6,9H,1-4H3,(H,18,21)(H,22,23)
InChIKeySJRVMSAHWZKQOZ-UHFFFAOYSA-N
XLogP2.61
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
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

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Related Compounds

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18145099
6-(2,5-dimethylfuran-3-yl)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
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)-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
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
N-(3,5-dimethoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42089730
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
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)-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55983289

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid (CID 119349124) is 2-[[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 2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[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)NC(C)C(=O)O)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
The InChIKey is SJRVMSAHWZKQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-7-5-11(10(4)24-7)13-6-12(15(21)18-9(3)17(22)23)14-8(2)20-25-16(14)19-13/h5-6,9H,1-4H3,(H,18,21)(H,22,23).
What are the key properties of 2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid?
2-[[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, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[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 119349124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).