1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea

C17H21ClN4O3 — CID 97286117

IUPAC1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESCc1ccc(Cl)c(C)c1NC(=O)NCCc1noc([C@H]2CCCO2)n1
InChIInChI=1S/C17H21ClN4O3/c1-10-5-6-12(18)11(2)15(10)21-17(23)19-8-7-14-20-16(25-22-14)13-4-3-9-24-13/h5-6,13H,3-4,7-9H2,1-2H3,(H2,19,21,23)/t13-/m1/s1
InChIKeyIJHUQVYKMZCWAN-CYBMUJFWSA-N
MW364.83 g/mol
LogP3.56
Rot. Bonds5

About 1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea

1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea (PubChem CID 97286117) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
PubChem CID97286117
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESCc1ccc(Cl)c(C)c1NC(=O)NCCc1noc([C@H]2CCCO2)n1
InChIInChI=1S/C17H21ClN4O3/c1-10-5-6-12(18)11(2)15(10)21-17(23)19-8-7-14-20-16(25-22-14)13-4-3-9-24-13/h5-6,13H,3-4,7-9H2,1-2H3,(H2,19,21,23)/t13-/m1/s1
InChIKeyIJHUQVYKMZCWAN-CYBMUJFWSA-N
XLogP3.56
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 125164554
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 74249924
1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
CID 125167570
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97271844
1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 125164773
2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 99928923
1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 125157030
4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 126434875
1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 72926461
4-morpholin-4-yl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 124853323
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936713

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea?
The IUPAC name of 1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea (CID 97286117) is 1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea.
What is the SMILES notation for 1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea?
The canonical SMILES for 1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea is Cc1ccc(Cl)c(C)c1NC(=O)NCCc1noc([C@H]2CCCO2)n1.
What is the InChIKey of 1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea?
The InChIKey is IJHUQVYKMZCWAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-10-5-6-12(18)11(2)15(10)21-17(23)19-8-7-14-20-16(25-22-14)13-4-3-9-24-13/h5-6,13H,3-4,7-9H2,1-2H3,(H2,19,21,23)/t13-/m1/s1.
What are the key properties of 1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea?
1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea has a molecular weight of 364.83 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea is sourced from PubChem (CID 97286117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).