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

C8H12N4O3 — CID 165498744

IUPAC[5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea
SMILESNC(=O)NCC1CCC(c2ncon2)O1
InChIInChI=1S/C8H12N4O3/c9-8(13)10-3-5-1-2-6(15-5)7-11-4-14-12-7/h4-6H,1-3H2,(H3,9,10,13)
InChIKeyIPCZXSLPYVKICP-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.04
Rot. Bonds3

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

[5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea (PubChem CID 165498744) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is [5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea.

Molecular Properties

Compound Name[5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea
PubChem CID165498744
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name[5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea
SMILESNC(=O)NCC1CCC(c2ncon2)O1
InChIInChI=1S/C8H12N4O3/c9-8(13)10-3-5-1-2-6(15-5)7-11-4-14-12-7/h4-6H,1-3H2,(H3,9,10,13)
InChIKeyIPCZXSLPYVKICP-UHFFFAOYSA-N
XLogP-0.04
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methylurea
CID 165497379
1-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 120974105
(2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 106394645
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338
(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 129403186
3-cyclopropyl-3-methyl-1-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]butan-1-one
CID 129344872
3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 96848352
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 166211162
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
CID 119946036
N-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019590
1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 166301319
2-[3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 118775112

Frequently Asked Questions

What is the IUPAC name of [5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea?
The IUPAC name of [5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea (CID 165498744) is [5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea.
What is the SMILES notation for [5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea?
The canonical SMILES for [5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea is NC(=O)NCC1CCC(c2ncon2)O1.
What is the InChIKey of [5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea?
The InChIKey is IPCZXSLPYVKICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-8(13)10-3-5-1-2-6(15-5)7-11-4-14-12-7/h4-6H,1-3H2,(H3,9,10,13).
What are the key properties of [5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea?
[5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea has a molecular weight of 212.21 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,2,4-oxadiazol-3-yl)oxolan-2-yl]methylurea is sourced from PubChem (CID 165498744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).