[(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea

C17H22N4O2 — CID 100611253

IUPAC[(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea
SMILESNC(=O)N[C@H](Cc1nc(C2CCCCC2)no1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c18-17(22)19-14(12-7-3-1-4-8-12)11-15-20-16(21-23-15)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H3,18,19,22)/t14-/m1/s1
InChIKeyOKRPTBCFBZHLMG-CQSZACIVSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds5

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

[(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea (PubChem CID 100611253) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea.

Molecular Properties

Compound Name[(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea
PubChem CID100611253
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea
SMILESNC(=O)N[C@H](Cc1nc(C2CCCCC2)no1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c18-17(22)19-14(12-7-3-1-4-8-12)11-15-20-16(21-23-15)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H3,18,19,22)/t14-/m1/s1
InChIKeyOKRPTBCFBZHLMG-CQSZACIVSA-N
XLogP3.07
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea with MolForge

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Related Compounds

2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(furan-2-yl)-3-phenylpropanamide
CID 131940946
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
[1-(3-methylphenyl)-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea;hydrochloride
CID 120960084
N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60837266
1,2-diphenylethylurea
CID 2853470
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119817373
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea
CID 120853330
3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
CID 25204685

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea?
The IUPAC name of [(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea (CID 100611253) is [(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea.
What is the SMILES notation for [(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea?
The canonical SMILES for [(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea is NC(=O)N[C@H](Cc1nc(C2CCCCC2)no1)c1ccccc1.
What is the InChIKey of [(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea?
The InChIKey is OKRPTBCFBZHLMG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-17(22)19-14(12-7-3-1-4-8-12)11-15-20-16(21-23-15)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H3,18,19,22)/t14-/m1/s1.
What are the key properties of [(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea?
[(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea is sourced from PubChem (CID 100611253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).