1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea

C20H20N4O2 — CID 53005895

IUPAC1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O2/c1-2-13-21-20(25)22-17-10-6-9-16(14-17)19-23-18(26-24-19)12-11-15-7-4-3-5-8-15/h3-12,14H,2,13H2,1H3,(H2,21,22,25)/b12-11+
InChIKeyXGXXDMXGVOPDQW-VAWYXSNFSA-N
MW348.41 g/mol
LogP4.44
Rot. Bonds6

About 1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea

1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea (PubChem CID 53005895) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
PubChem CID53005895
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O2/c1-2-13-21-20(25)22-17-10-6-9-16(14-17)19-23-18(26-24-19)12-11-15-7-4-3-5-8-15/h3-12,14H,2,13H2,1H3,(H2,21,22,25)/b12-11+
InChIKeyXGXXDMXGVOPDQW-VAWYXSNFSA-N
XLogP4.44
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 75972989
1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 53209900
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
1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 111103701
1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea
CID 67712663
3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122086534
1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6463833
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 71842832
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 2994581

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
The IUPAC name of 1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea (CID 53005895) is 1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea.
What is the SMILES notation for 1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
The canonical SMILES for 1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea is CCCNC(=O)Nc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1.
What is the InChIKey of 1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
The InChIKey is XGXXDMXGVOPDQW-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-13-21-20(25)22-17-10-6-9-16(14-17)19-23-18(26-24-19)12-11-15-7-4-3-5-8-15/h3-12,14H,2,13H2,1H3,(H2,21,22,25)/b12-11+.
What are the key properties of 1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea has a molecular weight of 348.41 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea is sourced from PubChem (CID 53005895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).