1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

C20H23FN6O2 — CID 126792085

IUPAC1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESCc1c(-c2cc(CN3CCC(NC(=O)Nc4ccc(F)cc4)C3)on2)cnn1C
InChIInChI=1S/C20H23FN6O2/c1-13-18(10-22-26(13)2)19-9-17(29-25-19)12-27-8-7-16(11-27)24-20(28)23-15-5-3-14(21)4-6-15/h3-6,9-10,16H,7-8,11-12H2,1-2H3,(H2,23,24,28)
InChIKeyAHXRTMMYWIBGOH-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.92
Rot. Bonds5

About 1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea (PubChem CID 126792085) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
PubChem CID126792085
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESCc1c(-c2cc(CN3CCC(NC(=O)Nc4ccc(F)cc4)C3)on2)cnn1C
InChIInChI=1S/C20H23FN6O2/c1-13-18(10-22-26(13)2)19-9-17(29-25-19)12-27-8-7-16(11-27)24-20(28)23-15-5-3-14(21)4-6-15/h3-6,9-10,16H,7-8,11-12H2,1-2H3,(H2,23,24,28)
InChIKeyAHXRTMMYWIBGOH-UHFFFAOYSA-N
XLogP2.92
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)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-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea (CID 126792085) is 1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea is Cc1c(-c2cc(CN3CCC(NC(=O)Nc4ccc(F)cc4)C3)on2)cnn1C.
What is the InChIKey of 1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The InChIKey is AHXRTMMYWIBGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-13-18(10-22-26(13)2)19-9-17(29-25-19)12-27-8-7-16(11-27)24-20(28)23-15-5-3-14(21)4-6-15/h3-6,9-10,16H,7-8,11-12H2,1-2H3,(H2,23,24,28).
What are the key properties of 1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea has a molecular weight of 398.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 126792085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).