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

C18H23FN4O2 — CID 122562278

IUPAC3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CN(C)C(=O)NCC2(c3ccccc3F)CCCC2)o1
InChIInChI=1S/C18H23FN4O2/c1-13-21-22-16(25-13)11-23(2)17(24)20-12-18(9-5-6-10-18)14-7-3-4-8-15(14)19/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,20,24)
InChIKeySJGWXEPNMIIOFO-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.17
Rot. Bonds5

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

3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 122562278) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID122562278
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CN(C)C(=O)NCC2(c3ccccc3F)CCCC2)o1
InChIInChI=1S/C18H23FN4O2/c1-13-21-22-16(25-13)11-23(2)17(24)20-12-18(9-5-6-10-18)14-7-3-4-8-15(14)19/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,20,24)
InChIKeySJGWXEPNMIIOFO-UHFFFAOYSA-N
XLogP3.17
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 122562278) is 3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is Cc1nnc(CN(C)C(=O)NCC2(c3ccccc3F)CCCC2)o1.
What is the InChIKey of 3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is SJGWXEPNMIIOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13-21-22-16(25-13)11-23(2)17(24)20-12-18(9-5-6-10-18)14-7-3-4-8-15(14)19/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,20,24).
What are the key properties of 3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 346.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 122562278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).