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

Analyze 1-(1,2-oxazol-3-yl)-3-(2-phenylsulfanylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811788
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732727
1-pentan-3-yl-3-(2-phenylsulfanylphenyl)urea
CID 108888275
1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896212
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
1-(3,5-dimethoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 108869420
(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196
1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811838
1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
CID 108888842
1-[(2-bromophenyl)methyl]-3-(2-phenylsulfanylphenyl)urea
CID 108897858

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).