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

C14H16N4O — CID 150914951

IUPAC5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2ccc(C3=NCCN3)cc2)n1
InChIInChI=1S/C14H16N4O/c1-9(2)12-17-14(19-18-12)11-5-3-10(4-6-11)13-15-7-8-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyLCUGYEGSJYRRLY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.21
Rot. Bonds3

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

5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 150914951) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID150914951
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2ccc(C3=NCCN3)cc2)n1
InChIInChI=1S/C14H16N4O/c1-9(2)12-17-14(19-18-12)11-5-3-10(4-6-11)13-15-7-8-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyLCUGYEGSJYRRLY-UHFFFAOYSA-N
XLogP2.21
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 150914951) is 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(-c2ccc(C3=NCCN3)cc2)n1.
What is the InChIKey of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is LCUGYEGSJYRRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9(2)12-17-14(19-18-12)11-5-3-10(4-6-11)13-15-7-8-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 256.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 150914951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).