1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one

C16H16N4O2 — CID 57130498

IUPAC1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one
SMILESO=C1C(CCc2ccccc2)N=CN1c1noc(C2CC2)n1
InChIInChI=1S/C16H16N4O2/c21-15-13(9-6-11-4-2-1-3-5-11)17-10-20(15)16-18-14(22-19-16)12-7-8-12/h1-5,10,12-13H,6-9H2
InChIKeyRZNMBNFBGDDXRP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.32
Rot. Bonds5

About 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one

1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one (PubChem CID 57130498) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one
PubChem CID57130498
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one
SMILESO=C1C(CCc2ccccc2)N=CN1c1noc(C2CC2)n1
InChIInChI=1S/C16H16N4O2/c21-15-13(9-6-11-4-2-1-3-5-11)17-10-20(15)16-18-14(22-19-16)12-7-8-12/h1-5,10,12-13H,6-9H2
InChIKeyRZNMBNFBGDDXRP-UHFFFAOYSA-N
XLogP2.32
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one?
The IUPAC name of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one (CID 57130498) is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one.
What is the SMILES notation for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one?
The canonical SMILES for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one is O=C1C(CCc2ccccc2)N=CN1c1noc(C2CC2)n1.
What is the InChIKey of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one?
The InChIKey is RZNMBNFBGDDXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15-13(9-6-11-4-2-1-3-5-11)17-10-20(15)16-18-14(22-19-16)12-7-8-12/h1-5,10,12-13H,6-9H2.
What are the key properties of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one?
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one has a molecular weight of 296.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)-4H-imidazol-5-one is sourced from PubChem (CID 57130498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).