3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid

C14H17N3O5 — CID 119249678

IUPAC3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)CCc1nc(-c2ccco2)no1)C(=O)O
InChIInChI=1S/C14H17N3O5/c1-14(2,13(19)20)8-15-10(18)5-6-11-16-12(17-22-11)9-4-3-7-21-9/h3-4,7H,5-6,8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyKHHYAILZQCEHJD-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.49
Rot. Bonds7

About 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid

3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid (PubChem CID 119249678) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
PubChem CID119249678
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)CCc1nc(-c2ccco2)no1)C(=O)O
InChIInChI=1S/C14H17N3O5/c1-14(2,13(19)20)8-15-10(18)5-6-11-16-12(17-22-11)9-4-3-7-21-9/h3-4,7H,5-6,8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyKHHYAILZQCEHJD-UHFFFAOYSA-N
XLogP1.49
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 134018961
3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119250010
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)propanamide
CID 36741660
N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55554755
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 36803725
N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36705195
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110888709
2-[[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243032
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
3,3,3-trifluoro-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 79789396
N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36654595

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid (CID 119249678) is 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)CCc1nc(-c2ccco2)no1)C(=O)O.
What is the InChIKey of 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid?
The InChIKey is KHHYAILZQCEHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-14(2,13(19)20)8-15-10(18)5-6-11-16-12(17-22-11)9-4-3-7-21-9/h3-4,7H,5-6,8H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid?
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid has a molecular weight of 307.31 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).