1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea

C12H20N4O2S — CID 97219115

IUPAC1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea
SMILESCS[C@H]1CCCC[C@H]1NC(=O)NCc1noc(C)n1
InChIInChI=1S/C12H20N4O2S/c1-8-14-11(16-18-8)7-13-12(17)15-9-5-3-4-6-10(9)19-2/h9-10H,3-7H2,1-2H3,(H2,13,15,17)/t9-,10+/m1/s1
InChIKeyZIUWUCDPKNWVIE-ZJUUUORDSA-N
MW284.38 g/mol
LogP1.85
Rot. Bonds4

About 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea (PubChem CID 97219115) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea.

Molecular Properties

Compound Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea
PubChem CID97219115
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea
SMILESCS[C@H]1CCCC[C@H]1NC(=O)NCc1noc(C)n1
InChIInChI=1S/C12H20N4O2S/c1-8-14-11(16-18-8)7-13-12(17)15-9-5-3-4-6-10(9)19-2/h9-10H,3-7H2,1-2H3,(H2,13,15,17)/t9-,10+/m1/s1
InChIKeyZIUWUCDPKNWVIE-ZJUUUORDSA-N
XLogP1.85
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea with MolForge

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Related Compounds

1-Cyclohexyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-YL)ethyl]urea
CID 91907143
3-Cyclohexyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75453187
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thian-4-amine
CID 127974612
4-methylsulfanyl-N-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pentanamide
CID 146133207
1-Cyclohexyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 45505554
N'-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide
CID 45835508
2,2-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thiomorpholine-4-carboxamide
CID 71859645
N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide
CID 51088829
N-cyclohexyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]acetamide
CID 53517529
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 53527406
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine
CID 53589162
N-cyclohexyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 54903476

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea?
The IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea (CID 97219115) is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea.
What is the SMILES notation for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea?
The canonical SMILES for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea is CS[C@H]1CCCC[C@H]1NC(=O)NCc1noc(C)n1.
What is the InChIKey of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea?
The InChIKey is ZIUWUCDPKNWVIE-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-8-14-11(16-18-8)7-13-12(17)15-9-5-3-4-6-10(9)19-2/h9-10H,3-7H2,1-2H3,(H2,13,15,17)/t9-,10+/m1/s1.
What are the key properties of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea?
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea has a molecular weight of 284.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea is sourced from PubChem (CID 97219115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).