2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid

C16H14N4O6 — CID 70680427

IUPAC2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)Nc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C16H14N4O6/c21-13(22)9-25-11-4-1-3-10(7-11)8-17-15(23)18-16-20-19-14(26-16)12-5-2-6-24-12/h1-7H,8-9H2,(H,21,22)(H2,17,18,20,23)
InChIKeyCOAUEHYQQBGZLC-UHFFFAOYSA-N
MW358.31 g/mol
LogP2.11
Rot. Bonds7

About 2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid

2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid (PubChem CID 70680427) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is 2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid
PubChem CID70680427
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC Name2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)Nc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C16H14N4O6/c21-13(22)9-25-11-4-1-3-10(7-11)8-17-15(23)18-16-20-19-14(26-16)12-5-2-6-24-12/h1-7H,8-9H2,(H,21,22)(H2,17,18,20,23)
InChIKeyCOAUEHYQQBGZLC-UHFFFAOYSA-N
XLogP2.11
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid (CID 70680427) is 2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid is O=C(O)COc1cccc(CNC(=O)Nc2nnc(-c3ccco3)o2)c1.
What is the InChIKey of 2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid?
The InChIKey is COAUEHYQQBGZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6/c21-13(22)9-25-11-4-1-3-10(7-11)8-17-15(23)18-16-20-19-14(26-16)12-5-2-6-24-12/h1-7H,8-9H2,(H,21,22)(H2,17,18,20,23).
What are the key properties of 2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid?
2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid has a molecular weight of 358.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoylamino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 70680427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).