1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea

C18H18N4O2S — CID 53209900

IUPAC1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea
SMILESCCCNC(=O)Nc1cccc(-c2noc(/C=C/c3cccs3)n2)c1
InChIInChI=1S/C18H18N4O2S/c1-2-10-19-18(23)20-14-6-3-5-13(12-14)17-21-16(24-22-17)9-8-15-7-4-11-25-15/h3-9,11-12H,2,10H2,1H3,(H2,19,20,23)/b9-8+
InChIKeyYIQSKLGPUZPDIH-CMDGGOBGSA-N
MW354.44 g/mol
LogP4.50
Rot. Bonds6

About 1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea

1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea (PubChem CID 53209900) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea
PubChem CID53209900
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea
SMILESCCCNC(=O)Nc1cccc(-c2noc(/C=C/c3cccs3)n2)c1
InChIInChI=1S/C18H18N4O2S/c1-2-10-19-18(23)20-14-6-3-5-13(12-14)17-21-16(24-22-17)9-8-15-7-4-11-25-15/h3-9,11-12H,2,10H2,1H3,(H2,19,20,23)/b9-8+
InChIKeyYIQSKLGPUZPDIH-CMDGGOBGSA-N
XLogP4.50
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 75972989
1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005895
1-[4-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 50778075
1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005886
1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 53005885
1-[3-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005891
3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
CID 71843309
3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
CID 167991639
1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 111103701
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122086534
1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 54073306

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea?
The IUPAC name of 1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea (CID 53209900) is 1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea.
What is the SMILES notation for 1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea?
The canonical SMILES for 1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea is CCCNC(=O)Nc1cccc(-c2noc(/C=C/c3cccs3)n2)c1.
What is the InChIKey of 1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea?
The InChIKey is YIQSKLGPUZPDIH-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-2-10-19-18(23)20-14-6-3-5-13(12-14)17-21-16(24-22-17)9-8-15-7-4-11-25-15/h3-9,11-12H,2,10H2,1H3,(H2,19,20,23)/b9-8+.
What are the key properties of 1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea?
1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea has a molecular weight of 354.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea is sourced from PubChem (CID 53209900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).