2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole

C19H16ClN5O — CID 122182370

IUPAC2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C19H16ClN5O/c1-2-13-7-8-21-16(11-13)18-22-9-10-25(18)12-17-23-24-19(26-17)14-3-5-15(20)6-4-14/h3-11H,2,12H2,1H3
InChIKeyJNADPVNIKKHRON-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.26
Rot. Bonds5

About 2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 122182370) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID122182370
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C19H16ClN5O/c1-2-13-7-8-21-16(11-13)18-22-9-10-25(18)12-17-23-24-19(26-17)14-3-5-15(20)6-4-14/h3-11H,2,12H2,1H3
InChIKeyJNADPVNIKKHRON-UHFFFAOYSA-N
XLogP4.26
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole (CID 122182370) is 2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole is CCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is JNADPVNIKKHRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-2-13-7-8-21-16(11-13)18-22-9-10-25(18)12-17-23-24-19(26-17)14-3-5-15(20)6-4-14/h3-11H,2,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 365.82 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 122182370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).