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

C13H22N4O2S — CID 97223816

IUPAC1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2noc(C)n2)C1
InChIInChI=1S/C13H22N4O2S/c1-4-20-11-6-5-10(7-11)17(3)13(18)14-8-12-15-9(2)19-16-12/h10-11H,4-8H2,1-3H3,(H,14,18)/t10-,11-/m1/s1
InChIKeyILNCLWAWGGDHFU-GHMZBOCLSA-N
MW298.41 g/mol
LogP2.19
Rot. Bonds5

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

1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 97223816) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID97223816
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2noc(C)n2)C1
InChIInChI=1S/C13H22N4O2S/c1-4-20-11-6-5-10(7-11)17(3)13(18)14-8-12-15-9(2)19-16-12/h10-11H,4-8H2,1-3H3,(H,14,18)/t10-,11-/m1/s1
InChIKeyILNCLWAWGGDHFU-GHMZBOCLSA-N
XLogP2.19
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(3-ethylsulfanylcyclopentyl)-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75379207
3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97059182
3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 71920743
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97223648
1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 97058827
N-cyclopropyl-N-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 114183707
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 106396639
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine
CID 120752356
3-(2-cyclopropylpyrimidin-5-yl)-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97224053
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 75379365
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 97223816) is 1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2noc(C)n2)C1.
What is the InChIKey of 1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is ILNCLWAWGGDHFU-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-20-11-6-5-10(7-11)17(3)13(18)14-8-12-15-9(2)19-16-12/h10-11H,4-8H2,1-3H3,(H,14,18)/t10-,11-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 298.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 97223816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).