1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea

C16H16N6O2 — CID 53005885

IUPAC1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCCNC(=O)Nc1cccc(-c2noc(-c3cnccn3)n2)c1
InChIInChI=1S/C16H16N6O2/c1-2-6-19-16(23)20-12-5-3-4-11(9-12)14-21-15(24-22-14)13-10-17-7-8-18-13/h3-5,7-10H,2,6H2,1H3,(H2,19,20,23)
InChIKeyXIRUREVCRXHUSJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.73
Rot. Bonds5

About 1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea

1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 53005885) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID53005885
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCCNC(=O)Nc1cccc(-c2noc(-c3cnccn3)n2)c1
InChIInChI=1S/C16H16N6O2/c1-2-6-19-16(23)20-12-5-3-4-11(9-12)14-21-15(24-22-14)13-10-17-7-8-18-13/h3-5,7-10H,2,6H2,1H3,(H2,19,20,23)
InChIKeyXIRUREVCRXHUSJ-UHFFFAOYSA-N
XLogP2.73
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]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-[3-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005891
1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005886
1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005895
1-[3-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 75972989
1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 53209900
ethane;3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfanylamino]phenyl]propanamide
CID 142181099
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 4972613
1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea
CID 110748430
1-[4-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 46321276
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
1-(2-ethyl-2-hydroxybutyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 111103701
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 53005885) is 1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea is CCCNC(=O)Nc1cccc(-c2noc(-c3cnccn3)n2)c1.
What is the InChIKey of 1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is XIRUREVCRXHUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-2-6-19-16(23)20-12-5-3-4-11(9-12)14-21-15(24-22-14)13-10-17-7-8-18-13/h3-5,7-10H,2,6H2,1H3,(H2,19,20,23).
What are the key properties of 1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 324.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 53005885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).