1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea

C23H20N4O2 — CID 50827438

IUPAC1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCCc1ccc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-2-16-8-12-19(13-9-16)24-23(28)25-20-14-10-18(11-15-20)22-27-26-21(29-22)17-6-4-3-5-7-17/h3-15H,2H2,1H3,(H2,24,25,28)
InChIKeyKPRZWUWCKSZBER-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.61
Rot. Bonds5

About 1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea

1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 50827438) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID50827438
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCCc1ccc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-2-16-8-12-19(13-9-16)24-23(28)25-20-14-10-18(11-15-20)22-27-26-21(29-22)17-6-4-3-5-7-17/h3-15H,2H2,1H3,(H2,24,25,28)
InChIKeyKPRZWUWCKSZBER-UHFFFAOYSA-N
XLogP5.61
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 50827438) is 1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is CCc1ccc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is KPRZWUWCKSZBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-2-16-8-12-19(13-9-16)24-23(28)25-20-14-10-18(11-15-20)22-27-26-21(29-22)17-6-4-3-5-7-17/h3-15H,2H2,1H3,(H2,24,25,28).
What are the key properties of 1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 384.44 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 50827438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).