5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole

C14H18N2O4 — CID 131963059

IUPAC5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole
SMILESCc1ccc(Cc2nc(COCC3CCOC3)no2)o1
InChIInChI=1S/C14H18N2O4/c1-10-2-3-12(19-10)6-14-15-13(16-20-14)9-18-8-11-4-5-17-7-11/h2-3,11H,4-9H2,1H3
InChIKeyBHPHQJQYHYSFME-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.11
Rot. Bonds6

About 5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole

5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole (PubChem CID 131963059) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole
PubChem CID131963059
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole
SMILESCc1ccc(Cc2nc(COCC3CCOC3)no2)o1
InChIInChI=1S/C14H18N2O4/c1-10-2-3-12(19-10)6-14-15-13(16-20-14)9-18-8-11-4-5-17-7-11/h2-3,11H,4-9H2,1H3
InChIKeyBHPHQJQYHYSFME-UHFFFAOYSA-N
XLogP2.11
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole (CID 131963059) is 5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole is Cc1ccc(Cc2nc(COCC3CCOC3)no2)o1.
What is the InChIKey of 5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is BHPHQJQYHYSFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-2-3-12(19-10)6-14-15-13(16-20-14)9-18-8-11-4-5-17-7-11/h2-3,11H,4-9H2,1H3.
What are the key properties of 5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole?
5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 278.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylfuran-2-yl)methyl]-3-(oxolan-3-ylmethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 131963059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).