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

C19H19ClN4O2 — CID 50778245

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCc1nc(-c2ccc(NC(=O)NCCc3ccc(Cl)cc3)cc2)no1
InChIInChI=1S/C19H19ClN4O2/c1-2-17-23-18(24-26-17)14-5-9-16(10-6-14)22-19(25)21-12-11-13-3-7-15(20)8-4-13/h3-10H,2,11-12H2,1H3,(H2,21,22,25)
InChIKeyQELIBTDLQWRNGB-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.32
Rot. Bonds6

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

1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 50778245) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID50778245
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCc1nc(-c2ccc(NC(=O)NCCc3ccc(Cl)cc3)cc2)no1
InChIInChI=1S/C19H19ClN4O2/c1-2-17-23-18(24-26-17)14-5-9-16(10-6-14)22-19(25)21-12-11-13-3-7-15(20)8-4-13/h3-10H,2,11-12H2,1H3,(H2,21,22,25)
InChIKeyQELIBTDLQWRNGB-UHFFFAOYSA-N
XLogP4.32
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110324234
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 50778323
1-(4-chlorophenyl)-3-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110323647
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
CID 108891822
1-[4-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 46321276
3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylaniline
CID 112796904
1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321334
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethylurea
CID 6463409
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-acetamidophenyl)acetate
CID 8671553

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 50778245) is 1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea is CCc1nc(-c2ccc(NC(=O)NCCc3ccc(Cl)cc3)cc2)no1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is QELIBTDLQWRNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-2-17-23-18(24-26-17)14-5-9-16(10-6-14)22-19(25)21-12-11-13-3-7-15(20)8-4-13/h3-10H,2,11-12H2,1H3,(H2,21,22,25).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 370.84 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 50778245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).