1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

C17H22N4O3 — CID 51102233

IUPAC1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCCc2nc(C(C)C)no2)c1
InChIInChI=1S/C17H22N4O3/c1-11(2)16-20-15(24-21-16)8-5-9-18-17(23)19-14-7-4-6-13(10-14)12(3)22/h4,6-7,10-11H,5,8-9H2,1-3H3,(H2,18,19,23)
InChIKeyQUHGCTBQGCHHNH-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.15
Rot. Bonds7

About 1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea (PubChem CID 51102233) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
PubChem CID51102233
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCCc2nc(C(C)C)no2)c1
InChIInChI=1S/C17H22N4O3/c1-11(2)16-20-15(24-21-16)8-5-9-18-17(23)19-14-7-4-6-13(10-14)12(3)22/h4,6-7,10-11H,5,8-9H2,1-3H3,(H2,18,19,23)
InChIKeyQUHGCTBQGCHHNH-UHFFFAOYSA-N
XLogP3.15
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea (CID 51102233) is 1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea is CC(=O)c1cccc(NC(=O)NCCCc2nc(C(C)C)no2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The InChIKey is QUHGCTBQGCHHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(2)16-20-15(24-21-16)8-5-9-18-17(23)19-14-7-4-6-13(10-14)12(3)22/h4,6-7,10-11H,5,8-9H2,1-3H3,(H2,18,19,23).
What are the key properties of 1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea has a molecular weight of 330.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea is sourced from PubChem (CID 51102233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).