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

C18H26N6O2 — CID 126774567

IUPAC1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
SMILESCC(NC(=O)NCc1cccnc1N(C)C)c1nc(C2CCCC2)no1
InChIInChI=1S/C18H26N6O2/c1-12(17-22-15(23-26-17)13-7-4-5-8-13)21-18(25)20-11-14-9-6-10-19-16(14)24(2)3/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H2,20,21,25)
InChIKeyLIONPLSBMSSJQB-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.75
Rot. Bonds6

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

1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea (PubChem CID 126774567) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
PubChem CID126774567
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
SMILESCC(NC(=O)NCc1cccnc1N(C)C)c1nc(C2CCCC2)no1
InChIInChI=1S/C18H26N6O2/c1-12(17-22-15(23-26-17)13-7-4-5-8-13)21-18(25)20-11-14-9-6-10-19-16(14)24(2)3/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H2,20,21,25)
InChIKeyLIONPLSBMSSJQB-UHFFFAOYSA-N
XLogP2.75
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea
CID 126777375
1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96520156
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028479
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(1-thiophen-2-ylethyl)urea
CID 51081847
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 122004494
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75505728
1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97089574
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 95619095
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 94156468

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea (CID 126774567) is 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea is CC(NC(=O)NCc1cccnc1N(C)C)c1nc(C2CCCC2)no1.
What is the InChIKey of 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea?
The InChIKey is LIONPLSBMSSJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12(17-22-15(23-26-17)13-7-4-5-8-13)21-18(25)20-11-14-9-6-10-19-16(14)24(2)3/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H2,20,21,25).
What are the key properties of 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea?
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea has a molecular weight of 358.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 126774567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).