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

C17H22N4O3 — CID 125167789

IUPAC1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NCc1noc([C@H]2CCCO2)n1
InChIInChI=1S/C17H22N4O3/c1-11(2)12-6-3-4-7-13(12)19-17(22)18-10-15-20-16(24-21-15)14-8-5-9-23-14/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H2,18,19,22)/t14-/m1/s1
InChIKeySZBWJYMQZUGGIG-CQSZACIVSA-N
MW330.39 g/mol
LogP3.37
Rot. Bonds5

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

1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 125167789) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID125167789
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NCc1noc([C@H]2CCCO2)n1
InChIInChI=1S/C17H22N4O3/c1-11(2)12-6-3-4-7-13(12)19-17(22)18-10-15-20-16(24-21-15)14-8-5-9-23-14/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H2,18,19,22)/t14-/m1/s1
InChIKeySZBWJYMQZUGGIG-CQSZACIVSA-N
XLogP3.37
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
CID 125167570
1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 125164773
1-(oxolan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 110706700
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 72904628
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
CID 97453495
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 92903025
2-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzothiophene-3-carboxamide
CID 155502417
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507
5-ethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 125172135
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 95867707
2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 70748676

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea (CID 125167789) is 1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)NCc1noc([C@H]2CCCO2)n1.
What is the InChIKey of 1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is SZBWJYMQZUGGIG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(2)12-6-3-4-7-13(12)19-17(22)18-10-15-20-16(24-21-15)14-8-5-9-23-14/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H2,18,19,22)/t14-/m1/s1.
What are the key properties of 1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea?
1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 330.39 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-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 125167789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).