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

C16H26N4O2S — CID 97089574

IUPAC1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
SMILESC[C@@H](NC(=O)NC[C@]1(C)CCCS1)c1nc(C2CCCC2)no1
InChIInChI=1S/C16H26N4O2S/c1-11(14-19-13(20-22-14)12-6-3-4-7-12)18-15(21)17-10-16(2)8-5-9-23-16/h11-12H,3-10H2,1-2H3,(H2,17,18,21)/t11-,16+/m1/s1
InChIKeyYIMHZJDCPOVDAS-BZNIZROVSA-N
MW338.48 g/mol
LogP3.37
Rot. Bonds5

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

1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea (PubChem CID 97089574) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
PubChem CID97089574
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
SMILESC[C@@H](NC(=O)NC[C@]1(C)CCCS1)c1nc(C2CCCC2)no1
InChIInChI=1S/C16H26N4O2S/c1-11(14-19-13(20-22-14)12-6-3-4-7-12)18-15(21)17-10-16(2)8-5-9-23-16/h11-12H,3-10H2,1-2H3,(H2,17,18,21)/t11-,16+/m1/s1
InChIKeyYIMHZJDCPOVDAS-BZNIZROVSA-N
XLogP3.37
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96520156
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 122004494
1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97021499
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75505728
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 126774567
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111506795
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea
CID 126777375
1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95960904
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 136515591

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea (CID 97089574) is 1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea is C[C@@H](NC(=O)NC[C@]1(C)CCCS1)c1nc(C2CCCC2)no1.
What is the InChIKey of 1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea?
The InChIKey is YIMHZJDCPOVDAS-BZNIZROVSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-11(14-19-13(20-22-14)12-6-3-4-7-12)18-15(21)17-10-16(2)8-5-9-23-16/h11-12H,3-10H2,1-2H3,(H2,17,18,21)/t11-,16+/m1/s1.
What are the key properties of 1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea?
1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea has a molecular weight of 338.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea is sourced from PubChem (CID 97089574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).