[5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea

C10H17N5O3 — CID 165497379

IUPAC[5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea
SMILESCN(C)c1nc(C2CCC(CNC(N)=O)O2)no1
InChIInChI=1S/C10H17N5O3/c1-15(2)10-13-8(14-18-10)7-4-3-6(17-7)5-12-9(11)16/h6-7H,3-5H2,1-2H3,(H3,11,12,16)
InChIKeyGLJQCELYYFHXMB-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.02
Rot. Bonds4

About [5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea

[5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea (PubChem CID 165497379) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is [5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea.

Molecular Properties

Compound Name[5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea
PubChem CID165497379
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name[5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea
SMILESCN(C)c1nc(C2CCC(CNC(N)=O)O2)no1
InChIInChI=1S/C10H17N5O3/c1-15(2)10-13-8(14-18-10)7-4-3-6(17-7)5-12-9(11)16/h6-7H,3-5H2,1-2H3,(H3,11,12,16)
InChIKeyGLJQCELYYFHXMB-UHFFFAOYSA-N
XLogP0.02
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea
CID 165498744
1-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 120974105
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrrolidine-1-carboxamide
CID 136581301
[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea
CID 130951975
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-methylamino]propanoic acid
CID 83834968
(2R,5R)-5-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 97225540
[5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine
CID 165498728
N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
CID 155953439
[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride
CID 128964535
5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide
CID 133380577
5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
CID 120874052

Frequently Asked Questions

What is the IUPAC name of [5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea?
The IUPAC name of [5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea (CID 165497379) is [5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea.
What is the SMILES notation for [5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea?
The canonical SMILES for [5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea is CN(C)c1nc(C2CCC(CNC(N)=O)O2)no1.
What is the InChIKey of [5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea?
The InChIKey is GLJQCELYYFHXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-15(2)10-13-8(14-18-10)7-4-3-6(17-7)5-12-9(11)16/h6-7H,3-5H2,1-2H3,(H3,11,12,16).
What are the key properties of [5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea?
[5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea has a molecular weight of 255.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea is sourced from PubChem (CID 165497379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).