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

C17H26N6O3 — CID 118774074

IUPAC1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
SMILESCOCCc1noc(C(C)NC(=O)Nc2cc(C)nn2C2CCCC2)n1
InChIInChI=1S/C17H26N6O3/c1-11-10-15(23(21-11)13-6-4-5-7-13)20-17(24)18-12(2)16-19-14(22-26-16)8-9-25-3/h10,12-13H,4-9H2,1-3H3,(H2,18,20,24)
InChIKeyKYSJRCLMTJVOOX-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.76
Rot. Bonds7

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

1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea (PubChem CID 118774074) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
PubChem CID118774074
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
SMILESCOCCc1noc(C(C)NC(=O)Nc2cc(C)nn2C2CCCC2)n1
InChIInChI=1S/C17H26N6O3/c1-11-10-15(23(21-11)13-6-4-5-7-13)20-17(24)18-12(2)16-19-14(22-26-16)8-9-25-3/h10,12-13H,4-9H2,1-3H3,(H2,18,20,24)
InChIKeyKYSJRCLMTJVOOX-UHFFFAOYSA-N
XLogP2.76
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea?
The IUPAC name of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea (CID 118774074) is 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea.
What is the SMILES notation for 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea?
The canonical SMILES for 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea is COCCc1noc(C(C)NC(=O)Nc2cc(C)nn2C2CCCC2)n1.
What is the InChIKey of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea?
The InChIKey is KYSJRCLMTJVOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-11-10-15(23(21-11)13-6-4-5-7-13)20-17(24)18-12(2)16-19-14(22-26-16)8-9-25-3/h10,12-13H,4-9H2,1-3H3,(H2,18,20,24).
What are the key properties of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea?
1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea has a molecular weight of 362.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]urea is sourced from PubChem (CID 118774074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).