1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea

C17H24N4O3 — CID 111619386

IUPAC1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea
SMILESCC(C)(C)c1nc(CNC(=O)N(CCO)Cc2ccccc2)no1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)15-19-14(20-24-15)11-18-16(23)21(9-10-22)12-13-7-5-4-6-8-13/h4-8,22H,9-12H2,1-3H3,(H,18,23)
InChIKeyOCPMFZRZLILUMU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.07
Rot. Bonds6

About 1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea

1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea (PubChem CID 111619386) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea
PubChem CID111619386
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea
SMILESCC(C)(C)c1nc(CNC(=O)N(CCO)Cc2ccccc2)no1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)15-19-14(20-24-15)11-18-16(23)21(9-10-22)12-13-7-5-4-6-8-13/h4-8,22H,9-12H2,1-3H3,(H,18,23)
InChIKeyOCPMFZRZLILUMU-UHFFFAOYSA-N
XLogP2.07
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea with MolForge

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Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507733
3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 111619379
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylguanidine
CID 111621022
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea
CID 110896623
1-(2-hydroxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-methylphenyl)methyl]urea
CID 84600281
1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896144
(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 95772040
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
CID 60775229
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea
CID 108814077

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea (CID 111619386) is 1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea is CC(C)(C)c1nc(CNC(=O)N(CCO)Cc2ccccc2)no1.
What is the InChIKey of 1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea?
The InChIKey is OCPMFZRZLILUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2,3)15-19-14(20-24-15)11-18-16(23)21(9-10-22)12-13-7-5-4-6-8-13/h4-8,22H,9-12H2,1-3H3,(H,18,23).
What are the key properties of 1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea?
1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 332.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111619386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).