5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

C15H16N4O3 — CID 72933681

IUPAC5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESc1ccc2[nH]c(COCc3nc(C4CCOC4)no3)nc2c1
InChIInChI=1S/C15H16N4O3/c1-2-4-12-11(3-1)16-13(17-12)8-21-9-14-18-15(19-22-14)10-5-6-20-7-10/h1-4,10H,5-9H2,(H,16,17)
InChIKeyJVPSYTWPBPXKCI-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.17
Rot. Bonds5

About 5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72933681) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72933681
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESc1ccc2[nH]c(COCc3nc(C4CCOC4)no3)nc2c1
InChIInChI=1S/C15H16N4O3/c1-2-4-12-11(3-1)16-13(17-12)8-21-9-14-18-15(19-22-14)10-5-6-20-7-10/h1-4,10H,5-9H2,(H,16,17)
InChIKeyJVPSYTWPBPXKCI-UHFFFAOYSA-N
XLogP2.17
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 72896419
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443640
3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 65330329
5-[(4-methoxyphenoxy)methyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453811
5-[(4-methoxyphenoxy)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72917784
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
5-(2,3-dihydro-1H-inden-2-ylmethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456867
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 97455544
4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 65329992

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72933681) is 5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is c1ccc2[nH]c(COCc3nc(C4CCOC4)no3)nc2c1.
What is the InChIKey of 5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is JVPSYTWPBPXKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-2-4-12-11(3-1)16-13(17-12)8-21-9-14-18-15(19-22-14)10-5-6-20-7-10/h1-4,10H,5-9H2,(H,16,17).
What are the key properties of 5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 300.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72933681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).