1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea

C16H13N3O2S — CID 108811852

IUPAC1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea
SMILESO=C(Nc1ccon1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-16(18-15-10-11-21-19-15)17-13-8-4-5-9-14(13)22-12-6-2-1-3-7-12/h1-11H,(H2,17,18,19,20)
InChIKeyQVLCTTPLBVYKNG-UHFFFAOYSA-N
MW311.37 g/mol
LogP4.47
Rot. Bonds4

About 1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea

1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea (PubChem CID 108811852) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea
PubChem CID108811852
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea
SMILESO=C(Nc1ccon1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-16(18-15-10-11-21-19-15)17-13-8-4-5-9-14(13)22-12-6-2-1-3-7-12/h1-11H,(H2,17,18,19,20)
InChIKeyQVLCTTPLBVYKNG-UHFFFAOYSA-N
XLogP4.47
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea?
The IUPAC name of 1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea (CID 108811852) is 1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea?
The canonical SMILES for 1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea is O=C(Nc1ccon1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea?
The InChIKey is QVLCTTPLBVYKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-16(18-15-10-11-21-19-15)17-13-8-4-5-9-14(13)22-12-6-2-1-3-7-12/h1-11H,(H2,17,18,19,20).
What are the key properties of 1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea?
1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea has a molecular weight of 311.37 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea is sourced from PubChem (CID 108811852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).