1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea

C23H24FN5O3 — CID 122172505

IUPAC1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2nc(C3CC(=O)N(Cc4ccc(F)cc4)C3)no2)cc1
InChIInChI=1S/C23H24FN5O3/c1-15-2-4-16(5-3-15)11-25-23(31)26-12-20-27-22(28-32-20)18-10-21(30)29(14-18)13-17-6-8-19(24)9-7-17/h2-9,18H,10-14H2,1H3,(H2,25,26,31)
InChIKeyZVDMPYNJZVFSLS-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.03
Rot. Bonds7

About 1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea

1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 122172505) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID122172505
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2nc(C3CC(=O)N(Cc4ccc(F)cc4)C3)no2)cc1
InChIInChI=1S/C23H24FN5O3/c1-15-2-4-16(5-3-15)11-25-23(31)26-12-20-27-22(28-32-20)18-10-21(30)29(14-18)13-17-6-8-19(24)9-7-17/h2-9,18H,10-14H2,1H3,(H2,25,26,31)
InChIKeyZVDMPYNJZVFSLS-UHFFFAOYSA-N
XLogP3.03
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea (CID 122172505) is 1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NCc2nc(C3CC(=O)N(Cc4ccc(F)cc4)C3)no2)cc1.
What is the InChIKey of 1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is ZVDMPYNJZVFSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-15-2-4-16(5-3-15)11-25-23(31)26-12-20-27-22(28-32-20)18-10-21(30)29(14-18)13-17-6-8-19(24)9-7-17/h2-9,18H,10-14H2,1H3,(H2,25,26,31).
What are the key properties of 1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea?
1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 437.48 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 122172505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).