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

C15H26N4O3 — CID 124850689

IUPAC1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1noc([C@H](C)NC(=O)NCCO[C@H]2CCCC[C@H]2C)n1
InChIInChI=1S/C15H26N4O3/c1-10-6-4-5-7-13(10)21-9-8-16-15(20)17-11(2)14-18-12(3)19-22-14/h10-11,13H,4-9H2,1-3H3,(H2,16,17,20)/t10-,11+,13+/m1/s1
InChIKeyXDUQHAZNIBVGER-MDZLAQPJSA-N
MW310.40 g/mol
LogP2.33
Rot. Bonds6

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

1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 124850689) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID124850689
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1noc([C@H](C)NC(=O)NCCO[C@H]2CCCC[C@H]2C)n1
InChIInChI=1S/C15H26N4O3/c1-10-6-4-5-7-13(10)21-9-8-16-15(20)17-11(2)14-18-12(3)19-22-14/h10-11,13H,4-9H2,1-3H3,(H2,16,17,20)/t10-,11+,13+/m1/s1
InChIKeyXDUQHAZNIBVGER-MDZLAQPJSA-N
XLogP2.33
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 129432106
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea
CID 112828680
1-[2-(2-methylcyclohexyl)oxyethyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 56781475
1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 124728449
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95130552
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95290615
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94028897
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94028900
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 122004494
2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975706
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119310286
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 124850689) is 1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is Cc1noc([C@H](C)NC(=O)NCCO[C@H]2CCCC[C@H]2C)n1.
What is the InChIKey of 1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is XDUQHAZNIBVGER-MDZLAQPJSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-10-6-4-5-7-13(10)21-9-8-16-15(20)17-11(2)14-18-12(3)19-22-14/h10-11,13H,4-9H2,1-3H3,(H2,16,17,20)/t10-,11+,13+/m1/s1.
What are the key properties of 1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 310.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 124850689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).