1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea

C19H18N4O3 — CID 46321334

IUPAC1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCc1nc(-c2ccc(NC(=O)Nc3cccc(C(C)=O)c3)cc2)no1
InChIInChI=1S/C19H18N4O3/c1-3-17-22-18(23-26-17)13-7-9-15(10-8-13)20-19(25)21-16-6-4-5-14(11-16)12(2)24/h4-11H,3H2,1-2H3,(H2,20,21,25)
InChIKeyUQMSRSVCSABVBU-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.15
Rot. Bonds5

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

1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 46321334) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID46321334
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCc1nc(-c2ccc(NC(=O)Nc3cccc(C(C)=O)c3)cc2)no1
InChIInChI=1S/C19H18N4O3/c1-3-17-22-18(23-26-17)13-7-9-15(10-8-13)20-19(25)21-16-6-4-5-14(11-16)12(2)24/h4-11H,3H2,1-2H3,(H2,20,21,25)
InChIKeyUQMSRSVCSABVBU-UHFFFAOYSA-N
XLogP4.15
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-acetylphenyl)-3-[4-(5-ethyl-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-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 50778323
N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041910
1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166328689
1-[3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]ethanone
CID 51225071
1-[2-(4-chlorophenyl)ethyl]-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778245
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780349
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
N-(3-chloro-4-methylphenyl)-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50767274
N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 21358511
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 46616250
1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
CID 20952694

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 46321334) is 1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea is CCc1nc(-c2ccc(NC(=O)Nc3cccc(C(C)=O)c3)cc2)no1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is UQMSRSVCSABVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-3-17-22-18(23-26-17)13-7-9-15(10-8-13)20-19(25)21-16-6-4-5-14(11-16)12(2)24/h4-11H,3H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 350.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 46321334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).