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

C19H18ClFN4O3 — CID 135238802

IUPAC1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)NC(Cc1ccc(Cl)cc1)c1noc(CCO)n1
InChIInChI=1S/C19H18ClFN4O3/c20-13-3-1-12(2-4-13)11-16(18-24-17(9-10-26)28-25-18)23-19(27)22-15-7-5-14(21)6-8-15/h1-8,16,26H,9-11H2,(H2,22,23,27)
InChIKeyWGVSDCHRTKUROJ-UHFFFAOYSA-N
MW404.83 g/mol
LogP3.50
Rot. Bonds7

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

1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea (PubChem CID 135238802) has the molecular formula C19H18ClFN4O3 and a molecular weight of 404.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea
PubChem CID135238802
Molecular FormulaC19H18ClFN4O3
Molecular Weight404.83 g/mol
Exact Mass404.11
IUPAC Name1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)NC(Cc1ccc(Cl)cc1)c1noc(CCO)n1
InChIInChI=1S/C19H18ClFN4O3/c20-13-3-1-12(2-4-13)11-16(18-24-17(9-10-26)28-25-18)23-19(27)22-15-7-5-14(21)6-8-15/h1-8,16,26H,9-11H2,(H2,22,23,27)
InChIKeyWGVSDCHRTKUROJ-UHFFFAOYSA-N
XLogP3.50
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.83
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea with MolForge

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Related Compounds

CID 124092220
CID 124092220
CID 50818853
CID 50818853
CID 50818895
CID 50818895
CID 124092252
CID 124092252
CID 124092253
CID 124092253
CID 124092255
CID 124092255
CID 124092256
CID 124092256
CID 124092488
CID 124092488
CID 124092490
CID 124092490
CID 124092500
CID 124092500
CID 124092502
CID 124092502
CID 135238801
CID 135238801

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea (CID 135238802) is 1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)NC(Cc1ccc(Cl)cc1)c1noc(CCO)n1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea?
The InChIKey is WGVSDCHRTKUROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O3/c20-13-3-1-12(2-4-13)11-16(18-24-17(9-10-26)28-25-18)23-19(27)22-15-7-5-14(21)6-8-15/h1-8,16,26H,9-11H2,(H2,22,23,27).
What are the key properties of 1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea?
1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea has a molecular weight of 404.83 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 135238802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).