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

C18H26N6O3 — CID 74249924

IUPAC1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESCc1cnn(C2CCCC2)c1NC(=O)NCCc1noc(C2CCCO2)n1
InChIInChI=1S/C18H26N6O3/c1-12-11-20-24(13-5-2-3-6-13)16(12)22-18(25)19-9-8-15-21-17(27-23-15)14-7-4-10-26-14/h11,13-14H,2-10H2,1H3,(H2,19,22,25)
InChIKeyGDBIRZXDOBSXSB-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.91
Rot. Bonds6

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

1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea (PubChem CID 74249924) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
PubChem CID74249924
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESCc1cnn(C2CCCC2)c1NC(=O)NCCc1noc(C2CCCO2)n1
InChIInChI=1S/C18H26N6O3/c1-12-11-20-24(13-5-2-3-6-13)16(12)22-18(25)19-9-8-15-21-17(27-23-15)14-7-4-10-26-14/h11,13-14H,2-10H2,1H3,(H2,19,22,25)
InChIKeyGDBIRZXDOBSXSB-UHFFFAOYSA-N
XLogP2.91
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97286117
1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 125164554
1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 125164773
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97271844
1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 72926461
N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-imidazole-5-carboxamide
CID 90648078
1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 125157030
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
4-morpholin-4-yl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 124853323
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936713
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935155

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The IUPAC name of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea (CID 74249924) is 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea.
What is the SMILES notation for 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The canonical SMILES for 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea is Cc1cnn(C2CCCC2)c1NC(=O)NCCc1noc(C2CCCO2)n1.
What is the InChIKey of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The InChIKey is GDBIRZXDOBSXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-12-11-20-24(13-5-2-3-6-13)16(12)22-18(25)19-9-8-15-21-17(27-23-15)14-7-4-10-26-14/h11,13-14H,2-10H2,1H3,(H2,19,22,25).
What are the key properties of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea has a molecular weight of 374.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea is sourced from PubChem (CID 74249924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).