1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea

C17H18N4O2S — CID 75496323

IUPAC1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCCN(CCc1nccs1)C(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H18N4O2S/c1-2-21(10-8-16-18-9-11-24-16)17(22)19-15-12-14(23-20-15)13-6-4-3-5-7-13/h3-7,9,11-12H,2,8,10H2,1H3,(H,19,20,22)
InChIKeyLGGAVYVLJQDQIJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.89
Rot. Bonds6

About 1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea

1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 75496323) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID75496323
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCCN(CCc1nccs1)C(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H18N4O2S/c1-2-21(10-8-16-18-9-11-24-16)17(22)19-15-12-14(23-20-15)13-6-4-3-5-7-13/h3-7,9,11-12H,2,8,10H2,1H3,(H,19,20,22)
InChIKeyLGGAVYVLJQDQIJ-UHFFFAOYSA-N
XLogP3.89
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 75496323) is 1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea is CCN(CCc1nccs1)C(=O)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is LGGAVYVLJQDQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-21(10-8-16-18-9-11-24-16)17(22)19-15-12-14(23-20-15)13-6-4-3-5-7-13/h3-7,9,11-12H,2,8,10H2,1H3,(H,19,20,22).
What are the key properties of 1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 342.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-phenyl-1,2-oxazol-3-yl)-1-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 75496323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).