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

C8H16ClN5O2 — CID 66952065

IUPAC[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride
SMILESCC(C)(C)[C@H](N)c1nnc(NC(N)=O)o1.Cl
InChIInChI=1S/C8H15N5O2.ClH/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);1H/t4-;/m1./s1
InChIKeyXRLXOSSOJGACDK-PGMHMLKASA-N
MW249.70 g/mol
LogP1.03
Rot. Bonds2

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

[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride (PubChem CID 66952065) has the molecular formula C8H16ClN5O2 and a molecular weight of 249.70 g/mol. Its IUPAC name is [5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride.

Molecular Properties

Compound Name[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride
PubChem CID66952065
Molecular FormulaC8H16ClN5O2
Molecular Weight249.70 g/mol
Exact Mass249.10
IUPAC Name[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride
SMILESCC(C)(C)[C@H](N)c1nnc(NC(N)=O)o1.Cl
InChIInChI=1S/C8H15N5O2.ClH/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);1H/t4-;/m1./s1
InChIKeyXRLXOSSOJGACDK-PGMHMLKASA-N
XLogP1.03
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride?
The IUPAC name of [5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride (CID 66952065) is [5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride.
What is the SMILES notation for [5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride?
The canonical SMILES for [5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride is CC(C)(C)[C@H](N)c1nnc(NC(N)=O)o1.Cl.
What is the InChIKey of [5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride?
The InChIKey is XRLXOSSOJGACDK-PGMHMLKASA-N. The full InChI is InChI=1S/C8H15N5O2.ClH/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);1H/t4-;/m1./s1.
What are the key properties of [5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride?
[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride has a molecular weight of 249.70 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea;hydrochloride is sourced from PubChem (CID 66952065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).