3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole

C19H14N4O — CID 171851811

IUPAC3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole
SMILESC#Cc1ccc(-c2nc(-c3ccc(C4=NCCN4)cc3)no2)cc1
InChIInChI=1S/C19H14N4O/c1-2-13-3-5-16(6-4-13)19-22-18(23-24-19)15-9-7-14(8-10-15)17-20-11-12-21-17/h1,3-10H,11-12H2,(H,20,21)
InChIKeyQNVPRBUQBMOPRL-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.73
Rot. Bonds3

About 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole (PubChem CID 171851811) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole
PubChem CID171851811
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole
SMILESC#Cc1ccc(-c2nc(-c3ccc(C4=NCCN4)cc3)no2)cc1
InChIInChI=1S/C19H14N4O/c1-2-13-3-5-16(6-4-13)19-22-18(23-24-19)15-9-7-14(8-10-15)17-20-11-12-21-17/h1,3-10H,11-12H2,(H,20,21)
InChIKeyQNVPRBUQBMOPRL-UHFFFAOYSA-N
XLogP2.73
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 151566527
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-iodophenyl)-1,2,4-oxadiazole
CID 171851796
5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
CID 151729900
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
3,5-bis(4-iodophenyl)-1,2,4-oxadiazole
CID 21231936
5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride
CID 16659036
5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 158320426
3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol
CID 54104804
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82242731

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole (CID 171851811) is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole is C#Cc1ccc(-c2nc(-c3ccc(C4=NCCN4)cc3)no2)cc1.
What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole?
The InChIKey is QNVPRBUQBMOPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c1-2-13-3-5-16(6-4-13)19-22-18(23-24-19)15-9-7-14(8-10-15)17-20-11-12-21-17/h1,3-10H,11-12H2,(H,20,21).
What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole?
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole has a molecular weight of 314.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 171851811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).