1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C13H16N4O2S — CID 72887861

IUPAC1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCSc1ccc(NC(=O)NCc2noc(C)n2)cc1
InChIInChI=1S/C13H16N4O2S/c1-3-20-11-6-4-10(5-7-11)16-13(18)14-8-12-15-9(2)19-17-12/h4-7H,3,8H2,1-2H3,(H2,14,16,18)
InChIKeyUYYFTQPZBSESHM-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.81
Rot. Bonds5

About 1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 72887861) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID72887861
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCSc1ccc(NC(=O)NCc2noc(C)n2)cc1
InChIInChI=1S/C13H16N4O2S/c1-3-20-11-6-4-10(5-7-11)16-13(18)14-8-12-15-9(2)19-17-12/h4-7H,3,8H2,1-2H3,(H2,14,16,18)
InChIKeyUYYFTQPZBSESHM-UHFFFAOYSA-N
XLogP2.81
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]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

2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402619
2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402861
1-(3-aminophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 106401387
1-(4-ethyl-3-nitrophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 84585012
1-(4-indazol-1-ylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75454932
1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75374599
1-[4-(1-aminoethyl)phenyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 106422674
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 106402817
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 106398305
4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402704
4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106409201
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106402593

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 72887861) is 1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is CCSc1ccc(NC(=O)NCc2noc(C)n2)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is UYYFTQPZBSESHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-20-11-6-4-10(5-7-11)16-13(18)14-8-12-15-9(2)19-17-12/h4-7H,3,8H2,1-2H3,(H2,14,16,18).
What are the key properties of 1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 292.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 72887861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).