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

C16H19N3O6 — CID 119215122

IUPAC2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCc2nc(-c3ccco3)no2)CCOCC1
InChIInChI=1S/C16H19N3O6/c20-12(18-16(10-14(21)22)5-8-23-9-6-16)3-4-13-17-15(19-25-13)11-2-1-7-24-11/h1-2,7H,3-6,8-10H2,(H,18,20)(H,21,22)
InChIKeyGGZCKKMPTODZDX-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.40
Rot. Bonds7

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

2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid (PubChem CID 119215122) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid
PubChem CID119215122
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Name2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCc2nc(-c3ccco3)no2)CCOCC1
InChIInChI=1S/C16H19N3O6/c20-12(18-16(10-14(21)22)5-8-23-9-6-16)3-4-13-17-15(19-25-13)11-2-1-7-24-11/h1-2,7H,3-6,8-10H2,(H,18,20)(H,21,22)
InChIKeyGGZCKKMPTODZDX-UHFFFAOYSA-N
XLogP1.40
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid (CID 119215122) is 2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)CCc2nc(-c3ccco3)no2)CCOCC1.
What is the InChIKey of 2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid?
The InChIKey is GGZCKKMPTODZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c20-12(18-16(10-14(21)22)5-8-23-9-6-16)3-4-13-17-15(19-25-13)11-2-1-7-24-11/h1-2,7H,3-6,8-10H2,(H,18,20)(H,21,22).
What are the key properties of 2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid?
2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid has a molecular weight of 349.34 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).