5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole

C16H12ClN5O2 — CID 167869013

IUPAC5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(Cn3ccnc3)no2)c2ncccc12
InChIInChI=1S/C16H12ClN5O2/c17-12-3-4-13(16-11(12)2-1-5-19-16)23-9-15-20-14(21-24-15)8-22-7-6-18-10-22/h1-7,10H,8-9H2
InChIKeyPGELVPOCGRIZQQ-UHFFFAOYSA-N
MW341.76 g/mol
LogP3.10
Rot. Bonds5

About 5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole

5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 167869013) has the molecular formula C16H12ClN5O2 and a molecular weight of 341.76 g/mol. Its IUPAC name is 5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID167869013
Molecular FormulaC16H12ClN5O2
Molecular Weight341.76 g/mol
Exact Mass341.07
IUPAC Name5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(Cn3ccnc3)no2)c2ncccc12
InChIInChI=1S/C16H12ClN5O2/c17-12-3-4-13(16-11(12)2-1-5-19-16)23-9-15-20-14(21-24-15)8-22-7-6-18-10-22/h1-7,10H,8-9H2
InChIKeyPGELVPOCGRIZQQ-UHFFFAOYSA-N
XLogP3.10
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole (CID 167869013) is 5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole is Clc1ccc(OCc2nc(Cn3ccnc3)no2)c2ncccc12.
What is the InChIKey of 5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is PGELVPOCGRIZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O2/c17-12-3-4-13(16-11(12)2-1-5-19-16)23-9-15-20-14(21-24-15)8-22-7-6-18-10-22/h1-7,10H,8-9H2.
What are the key properties of 5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole?
5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 341.76 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloroquinolin-8-yl)oxymethyl]-3-(imidazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167869013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).