1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea

C15H16Cl2N4O2 — CID 60543591

IUPAC1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea
SMILESCC(NC(=O)NCc1nc(C2CC2)no1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N4O2/c1-8(11-5-4-10(16)6-12(11)17)19-15(22)18-7-13-20-14(21-23-13)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H2,18,19,22)
InChIKeyVKXGQADWKYOOCO-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.81
Rot. Bonds5

About 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea (PubChem CID 60543591) has the molecular formula C15H16Cl2N4O2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea
PubChem CID60543591
Molecular FormulaC15H16Cl2N4O2
Molecular Weight355.23 g/mol
Exact Mass354.07
IUPAC Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea
SMILESCC(NC(=O)NCc1nc(C2CC2)no1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N4O2/c1-8(11-5-4-10(16)6-12(11)17)19-15(22)18-7-13-20-14(21-23-13)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H2,18,19,22)
InChIKeyVKXGQADWKYOOCO-UHFFFAOYSA-N
XLogP3.81
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea with MolForge

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Related Compounds

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]urea
CID 94650251
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
CID 154748359
1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 111117190
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99843267
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide
CID 55890714
3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61184371
N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,5-dichloro-2-fluorophenyl)ethanamine
CID 167931558
(E)-3-(2-chlorophenyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide
CID 98476326
(2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 125169074
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60719365
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38149207

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea (CID 60543591) is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea is CC(NC(=O)NCc1nc(C2CC2)no1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea?
The InChIKey is VKXGQADWKYOOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2/c1-8(11-5-4-10(16)6-12(11)17)19-15(22)18-7-13-20-14(21-23-13)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H2,18,19,22).
What are the key properties of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea?
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea has a molecular weight of 355.23 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea is sourced from PubChem (CID 60543591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).