1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea

C20H19ClFN5O2 — CID 25338632

IUPAC1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea
SMILESCN1C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H19ClFN5O2/c1-27-11-16(24-20(28)23-15-8-4-13(21)5-9-15)10-17(27)19-25-18(26-29-19)12-2-6-14(22)7-3-12/h2-9,16-17H,10-11H2,1H3,(H2,23,24,28)/t16-,17-/m0/s1
InChIKeyQICQUIZCKVWCQG-IRXDYDNUSA-N
MW415.86 g/mol
LogP4.10
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea

1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea (PubChem CID 25338632) has the molecular formula C20H19ClFN5O2 and a molecular weight of 415.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea
PubChem CID25338632
Molecular FormulaC20H19ClFN5O2
Molecular Weight415.86 g/mol
Exact Mass415.12
IUPAC Name1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea
SMILESCN1C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H19ClFN5O2/c1-27-11-16(24-20(28)23-15-8-4-13(21)5-9-15)10-17(27)19-25-18(26-29-19)12-2-6-14(22)7-3-12/h2-9,16-17H,10-11H2,1H3,(H2,23,24,28)/t16-,17-/m0/s1
InChIKeyQICQUIZCKVWCQG-IRXDYDNUSA-N
XLogP4.10
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea (CID 25338632) is 1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea is CN1C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea?
The InChIKey is QICQUIZCKVWCQG-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H19ClFN5O2/c1-27-11-16(24-20(28)23-15-8-4-13(21)5-9-15)10-17(27)19-25-18(26-29-19)12-2-6-14(22)7-3-12/h2-9,16-17H,10-11H2,1H3,(H2,23,24,28)/t16-,17-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea?
1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea has a molecular weight of 415.86 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3S,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]urea is sourced from PubChem (CID 25338632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).