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

C8H15N5O2 — CID 70969177

IUPAC[5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCC(C)(C)C(N)c1nnc(NC(N)=O)o1
InChIInChI=1S/C8H15N5O2/c1-8(2,3)4(9)5-12-13-7(15-5)11-6(10)14/h4H,9H2,1-3H3,(H3,10,11,13,14)
InChIKeySJWKFDVGPCYFDP-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.61
Rot. Bonds2

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

[5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea (PubChem CID 70969177) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is [5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea.

Molecular Properties

Compound Name[5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea
PubChem CID70969177
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name[5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea
SMILESCC(C)(C)C(N)c1nnc(NC(N)=O)o1
InChIInChI=1S/C8H15N5O2/c1-8(2,3)4(9)5-12-13-7(15-5)11-6(10)14/h4H,9H2,1-3H3,(H3,10,11,13,14)
InChIKeySJWKFDVGPCYFDP-UHFFFAOYSA-N
XLogP0.61
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine
CID 57463457
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine hydrochloride
CID 57463458
[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea
CID 58124290
tert-Butyl [(1S)-1-{5-[(aminocarbonyl)amino]-1,3,4-oxadiazol-2-yl}-2,2-dimethylpropyl]carbamate
CID 58124724
5-((S)-1-amino-2,2-dimethylpropyl)-[1,3,4]oxadiazol-2-ylamine dihydrochloride
CID 60209139
N-{5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl}cyclopropane-carboxamide hydrochloride
CID 66949762
N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 66949763
[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66952021
1-{5-[(1S)-1-Amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl}urea hydrochloride
CID 66952065
N-[5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 70969126
tert-butyl N-[1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 70969152
5-(1-Amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
CID 72683379

Frequently Asked Questions

What is the IUPAC name of [5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea?
The IUPAC name of [5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea (CID 70969177) is [5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea.
What is the SMILES notation for [5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea?
The canonical SMILES for [5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea is CC(C)(C)C(N)c1nnc(NC(N)=O)o1.
What is the InChIKey of [5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea?
The InChIKey is SJWKFDVGPCYFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-8(2,3)4(9)5-12-13-7(15-5)11-6(10)14/h4H,9H2,1-3H3,(H3,10,11,13,14).
What are the key properties of [5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea?
[5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea has a molecular weight of 213.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea is sourced from PubChem (CID 70969177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).