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

C13H16N4O5S — CID 72866993

IUPAC1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea
SMILESCOCc1noc(CNC(=O)Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C13H16N4O5S/c1-21-8-11-16-12(22-17-11)7-14-13(18)15-9-3-5-10(6-4-9)23(2,19)20/h3-6H,7-8H2,1-2H3,(H2,14,15,18)
InChIKeyHQMKYMHZZBGOSE-UHFFFAOYSA-N
MW340.36 g/mol
LogP0.94
Rot. Bonds6

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

1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea (PubChem CID 72866993) has the molecular formula C13H16N4O5S and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea
PubChem CID72866993
Molecular FormulaC13H16N4O5S
Molecular Weight340.36 g/mol
Exact Mass340.08
IUPAC Name1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea
SMILESCOCc1noc(CNC(=O)Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C13H16N4O5S/c1-21-8-11-16-12(22-17-11)7-14-13(18)15-9-3-5-10(6-4-9)23(2,19)20/h3-6H,7-8H2,1-2H3,(H2,14,15,18)
InChIKeyHQMKYMHZZBGOSE-UHFFFAOYSA-N
XLogP0.94
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 74240076
1-(3-methoxypropyl)-3-(4-methylsulfonylphenyl)urea
CID 47197998
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 97444839
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 122562885
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2-pyrrol-1-ylpropanamide
CID 122558648
1-(2,6-dimethoxy-3-pyridinyl)-3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 72863828
4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318
methyl 3-hydroxy-5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]benzoate
CID 122572331
1-(2,2-dimethylpropyl)-3-(4-methylsulfonylphenyl)urea
CID 110774671
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 70752728
methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474749
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 47038984

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea?
The IUPAC name of 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea (CID 72866993) is 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea?
The canonical SMILES for 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea is COCc1noc(CNC(=O)Nc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea?
The InChIKey is HQMKYMHZZBGOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5S/c1-21-8-11-16-12(22-17-11)7-14-13(18)15-9-3-5-10(6-4-9)23(2,19)20/h3-6H,7-8H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea?
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea has a molecular weight of 340.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea is sourced from PubChem (CID 72866993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).