1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea

C17H23N5O3 — CID 71792070

IUPAC1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESCOCCNC(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
InChIInChI=1S/C17H23N5O3/c1-24-12-11-19-16(23)21-17(7-3-2-4-8-17)15-20-14(22-25-15)13-5-9-18-10-6-13/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H2,19,21,23)
InChIKeyJUKOSHWBRGRDJL-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.24
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea

1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (PubChem CID 71792070) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
PubChem CID71792070
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESCOCCNC(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1
InChIInChI=1S/C17H23N5O3/c1-24-12-11-19-16(23)21-17(7-3-2-4-8-17)15-20-14(22-25-15)13-5-9-18-10-6-13/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H2,19,21,23)
InChIKeyJUKOSHWBRGRDJL-UHFFFAOYSA-N
XLogP2.24
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (CID 71792070) is 1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is COCCNC(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The InChIKey is JUKOSHWBRGRDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-24-12-11-19-16(23)21-17(7-3-2-4-8-17)15-20-14(22-25-15)13-5-9-18-10-6-13/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H2,19,21,23).
What are the key properties of 1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea has a molecular weight of 345.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is sourced from PubChem (CID 71792070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).