1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one

C15H13FN4O2 — CID 57293095

IUPAC1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one
SMILESO=C1C(Cc2ccccc2F)N=CN1c1noc(C2CC2)n1
InChIInChI=1S/C15H13FN4O2/c16-11-4-2-1-3-10(11)7-12-14(21)20(8-17-12)15-18-13(22-19-15)9-5-6-9/h1-4,8-9,12H,5-7H2
InChIKeyMMQUWLGLAHTKQC-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.07
Rot. Bonds4

About 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one

1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one (PubChem CID 57293095) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one
PubChem CID57293095
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one
SMILESO=C1C(Cc2ccccc2F)N=CN1c1noc(C2CC2)n1
InChIInChI=1S/C15H13FN4O2/c16-11-4-2-1-3-10(11)7-12-14(21)20(8-17-12)15-18-13(22-19-15)9-5-6-9/h1-4,8-9,12H,5-7H2
InChIKeyMMQUWLGLAHTKQC-UHFFFAOYSA-N
XLogP2.07
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.07
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-fluorophenyl)methyl]-4H-imidazol-5-one?
The IUPAC name of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one (CID 57293095) is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one.
What is the SMILES notation for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one?
The canonical SMILES for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one is O=C1C(Cc2ccccc2F)N=CN1c1noc(C2CC2)n1.
What is the InChIKey of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one?
The InChIKey is MMQUWLGLAHTKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-11-4-2-1-3-10(11)7-12-14(21)20(8-17-12)15-18-13(22-19-15)9-5-6-9/h1-4,8-9,12H,5-7H2.
What are the key properties of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one?
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-[(2-fluorophenyl)methyl]-4H-imidazol-5-one has a molecular weight of 300.29 g/mol, XLogP of 2.07, 4 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-fluorophenyl)methyl]-4H-imidazol-5-one is sourced from PubChem (CID 57293095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).