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

C17H22N6O2 — CID 126776918

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea
SMILESCCc1nc(C2(NC(=O)Nc3cnc(C4CC4)nc3)CCCC2)no1
InChIInChI=1S/C17H22N6O2/c1-2-13-21-15(23-25-13)17(7-3-4-8-17)22-16(24)20-12-9-18-14(19-10-12)11-5-6-11/h9-11H,2-8H2,1H3,(H2,20,22,24)
InChIKeyUHAUPIYKNWUYET-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.89
Rot. Bonds5

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

1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea (PubChem CID 126776918) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea
PubChem CID126776918
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea
SMILESCCc1nc(C2(NC(=O)Nc3cnc(C4CC4)nc3)CCCC2)no1
InChIInChI=1S/C17H22N6O2/c1-2-13-21-15(23-25-13)17(7-3-4-8-17)22-16(24)20-12-9-18-14(19-10-12)11-5-6-11/h9-11H,2-8H2,1H3,(H2,20,22,24)
InChIKeyUHAUPIYKNWUYET-UHFFFAOYSA-N
XLogP2.89
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
CID 126781906
4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674474
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 126780940
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 75376285
1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 86792399
1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea
CID 86785616
1-but-2-ynyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 99789978
2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
CID 120549906
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 71864405
1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 71933502
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926319
1-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea
CID 126778522

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea (CID 126776918) is 1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea is CCc1nc(C2(NC(=O)Nc3cnc(C4CC4)nc3)CCCC2)no1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea?
The InChIKey is UHAUPIYKNWUYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-2-13-21-15(23-25-13)17(7-3-4-8-17)22-16(24)20-12-9-18-14(19-10-12)11-5-6-11/h9-11H,2-8H2,1H3,(H2,20,22,24).
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea?
1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea has a molecular weight of 342.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea is sourced from PubChem (CID 126776918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).