2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid

C13H17N3O4 — CID 62822562

IUPAC2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1nc(-c2ccco2)no1)C(C)(C)C(=O)O
InChIInChI=1S/C13H17N3O4/c1-4-16(13(2,3)12(17)18)8-10-14-11(15-20-10)9-6-5-7-19-9/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyOLBMDDVJYSLLEQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.01
Rot. Bonds6

About 2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid

2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid (PubChem CID 62822562) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid
PubChem CID62822562
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1nc(-c2ccco2)no1)C(C)(C)C(=O)O
InChIInChI=1S/C13H17N3O4/c1-4-16(13(2,3)12(17)18)8-10-14-11(15-20-10)9-6-5-7-19-9/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyOLBMDDVJYSLLEQ-UHFFFAOYSA-N
XLogP2.01
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[ethyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropanoic acid
CID 62820836
3,3,3-trifluoro-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 79789396
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]propanoic acid
CID 60833607
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119249678
N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 66184076
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 43245014
2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62820490
1-[N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]propan-2-ol
CID 51106357
2-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-2-methylpropanoic acid
CID 62822369
2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819926
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide
CID 51121709
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112532

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid (CID 62822562) is 2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid is CCN(Cc1nc(-c2ccco2)no1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid?
The InChIKey is OLBMDDVJYSLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-4-16(13(2,3)12(17)18)8-10-14-11(15-20-10)9-6-5-7-19-9/h5-7H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid has a molecular weight of 279.30 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62822562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).