1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea

C13H16N4O2 — CID 51108291

IUPAC1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
SMILESCCc1noc(CN(C)C(=O)Nc2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-3-11-15-12(19-16-11)9-17(2)13(18)14-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,18)
InChIKeyASPVJJALIBVXID-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.30
Rot. Bonds4

About 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea (PubChem CID 51108291) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
PubChem CID51108291
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
SMILESCCc1noc(CN(C)C(=O)Nc2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-3-11-15-12(19-16-11)9-17(2)13(18)14-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,18)
InChIKeyASPVJJALIBVXID-UHFFFAOYSA-N
XLogP2.30
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(4-fluorophenyl)-1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6462162
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(4-methylphenyl)urea
CID 27261038
N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine
CID 71866216
N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 167849389
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 118788203
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
1-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methyl-3-phenylurea
CID 53055270
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 29027206
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 56508810

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea?
The IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea (CID 51108291) is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea.
What is the SMILES notation for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea?
The canonical SMILES for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea is CCc1noc(CN(C)C(=O)Nc2ccccc2)n1.
What is the InChIKey of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea?
The InChIKey is ASPVJJALIBVXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-11-15-12(19-16-11)9-17(2)13(18)14-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,18).
What are the key properties of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea?
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea has a molecular weight of 260.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea is sourced from PubChem (CID 51108291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).