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

C17H22FN5O2 — CID 75372290

IUPAC1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea
SMILESCN(C)Cc1nc(C2(NC(=O)Nc3cccc(F)c3)CCCC2)no1
InChIInChI=1S/C17H22FN5O2/c1-23(2)11-14-20-15(22-25-14)17(8-3-4-9-17)21-16(24)19-13-7-5-6-12(18)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,19,21,24)
InChIKeyWMNHIMNLAWYZJW-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.86
Rot. Bonds5

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

1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea (PubChem CID 75372290) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea
PubChem CID75372290
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea
SMILESCN(C)Cc1nc(C2(NC(=O)Nc3cccc(F)c3)CCCC2)no1
InChIInChI=1S/C17H22FN5O2/c1-23(2)11-14-20-15(22-25-14)17(8-3-4-9-17)21-16(24)19-13-7-5-6-12(18)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,19,21,24)
InChIKeyWMNHIMNLAWYZJW-UHFFFAOYSA-N
XLogP2.86
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-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-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea (CID 75372290) is 1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea is CN(C)Cc1nc(C2(NC(=O)Nc3cccc(F)c3)CCCC2)no1.
What is the InChIKey of 1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea?
The InChIKey is WMNHIMNLAWYZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-23(2)11-14-20-15(22-25-14)17(8-3-4-9-17)21-16(24)19-13-7-5-6-12(18)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,19,21,24).
What are the key properties of 1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea?
1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea has a molecular weight of 347.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 75372290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).