1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea

C16H18N6O3 — CID 100767874

IUPAC1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
SMILESCN(C)c1noc(CNC(=O)NCc2coc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H18N6O3/c1-22(2)15-20-13(25-21-15)9-18-16(23)17-8-12-10-24-14(19-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,17,18,23)
InChIKeySKFNCIICKMGXQI-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.79
Rot. Bonds6

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

1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea (PubChem CID 100767874) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
PubChem CID100767874
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
SMILESCN(C)c1noc(CNC(=O)NCc2coc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H18N6O3/c1-22(2)15-20-13(25-21-15)9-18-16(23)17-8-12-10-24-14(19-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,17,18,23)
InChIKeySKFNCIICKMGXQI-UHFFFAOYSA-N
XLogP1.79
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea with MolForge

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Related Compounds

2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552687
1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507627
1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507637
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111980632
2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
CID 90649694
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507638
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507631
1-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111553876
2-(2-methoxyethylamino)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119782299
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111980647

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea (CID 100767874) is 1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea is CN(C)c1noc(CNC(=O)NCc2coc(-c3ccccc3)n2)n1.
What is the InChIKey of 1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
The InChIKey is SKFNCIICKMGXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-22(2)15-20-13(25-21-15)9-18-16(23)17-8-12-10-24-14(19-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,17,18,23).
What are the key properties of 1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea?
1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea has a molecular weight of 342.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 100767874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).