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

C18H24N4O3 — CID 47085390

IUPAC1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCCCc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C18H24N4O3/c1-12(2)11-16-21-17(25-22-16)5-4-10-19-18(24)20-15-8-6-14(7-9-15)13(3)23/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,20,24)
InChIKeyKQRSBOFYYRWGFY-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.22
Rot. Bonds8

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

1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea (PubChem CID 47085390) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea
PubChem CID47085390
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCCCc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C18H24N4O3/c1-12(2)11-16-21-17(25-22-16)5-4-10-19-18(24)20-15-8-6-14(7-9-15)13(3)23/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,20,24)
InChIKeyKQRSBOFYYRWGFY-UHFFFAOYSA-N
XLogP3.22
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.22
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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Related Compounds

1-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 47019668
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 47080376
4-[(4-acetylphenyl)carbamoylamino]butanoic acid
CID 28511845
1-(4-acetylphenyl)-3-(4-cyanobutyl)urea
CID 63297190
4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 54924497
1-(4-acetylphenyl)-3-[2-(methanesulfonamido)ethyl]urea
CID 47022405
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 60724202
N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 111022244
1-[4-(1-aminoethyl)phenyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 106422674
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate
CID 38882652
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea (CID 47085390) is 1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea is CC(=O)c1ccc(NC(=O)NCCCc2nc(CC(C)C)no2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea?
The InChIKey is KQRSBOFYYRWGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)11-16-21-17(25-22-16)5-4-10-19-18(24)20-15-8-6-14(7-9-15)13(3)23/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea?
1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea has a molecular weight of 344.42 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea is sourced from PubChem (CID 47085390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).