[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate

C9H9N3O4 — CID 175130264

IUPAC[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1nc(Cc2ccco2)no1
InChIInChI=1S/C9H9N3O4/c10-9(13)15-5-8-11-7(12-16-8)4-6-2-1-3-14-6/h1-3H,4-5H2,(H2,10,13)
InChIKeyZHSQNWQRRJXVJF-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.85
Rot. Bonds4

About [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate

[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate (PubChem CID 175130264) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate
PubChem CID175130264
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1nc(Cc2ccco2)no1
InChIInChI=1S/C9H9N3O4/c10-9(13)15-5-8-11-7(12-16-8)4-6-2-1-3-14-6/h1-3H,4-5H2,(H2,10,13)
InChIKeyZHSQNWQRRJXVJF-UHFFFAOYSA-N
XLogP0.85
TPSA104.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate?
The IUPAC name of [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate (CID 175130264) is [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate.
What is the SMILES notation for [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate?
The canonical SMILES for [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate is NC(=O)OCc1nc(Cc2ccco2)no1.
What is the InChIKey of [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate?
The InChIKey is ZHSQNWQRRJXVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c10-9(13)15-5-8-11-7(12-16-8)4-6-2-1-3-14-6/h1-3H,4-5H2,(H2,10,13).
What are the key properties of [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate?
[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate has a molecular weight of 223.19 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl carbamate is sourced from PubChem (CID 175130264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).