[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea

C8H14N4O2 — CID 89148613

IUPAC[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCC(C)(C)Cc1nnc(NC(N)=O)o1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)4-5-11-12-7(14-5)10-6(9)13/h4H2,1-3H3,(H3,9,10,12,13)
InChIKeyRWQNBVJFMWMPNF-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.15
Rot. Bonds2

About [5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea

[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea (PubChem CID 89148613) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is [5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea.

Molecular Properties

Compound Name[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea
PubChem CID89148613
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCC(C)(C)Cc1nnc(NC(N)=O)o1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)4-5-11-12-7(14-5)10-6(9)13/h4H2,1-3H3,(H3,9,10,12,13)
InChIKeyRWQNBVJFMWMPNF-UHFFFAOYSA-N
XLogP1.15
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,2-Dimethylpropyl)-1,3,4-oxadiazol-2-amine
CID 20118180
[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea
CID 58124290
N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 58124396
1-{5-[(1S)-1-Amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl}urea hydrochloride
CID 66952065
[5-(1-Amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea
CID 70969177
5-(3,3-Dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 88976321
5-[(2S)-3,3-dimethylbutan-2-yl]-1,3,4-oxadiazol-2-amine
CID 143642002
5-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 147007426
N-(5-propyl-1,3,4-oxadiazol-2-yl)butanamide
CID 23629374
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropanamide
CID 64590918
2-cyano-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)butanamide
CID 116383876

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea?
The IUPAC name of [5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea (CID 89148613) is [5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea.
What is the SMILES notation for [5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea?
The canonical SMILES for [5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea is CC(C)(C)Cc1nnc(NC(N)=O)o1.
What is the InChIKey of [5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea?
The InChIKey is RWQNBVJFMWMPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,3)4-5-11-12-7(14-5)10-6(9)13/h4H2,1-3H3,(H3,9,10,12,13).
What are the key properties of [5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea?
[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea has a molecular weight of 198.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea is sourced from PubChem (CID 89148613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).