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

C11H19ClN4O2 — CID 66949762

IUPACN-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)(C)[C@H](N)c1nnc(NC(=O)C2CC2)o1.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-11(2,3)7(12)9-14-15-10(17-9)13-8(16)6-4-5-6;/h6-7H,4-5,12H2,1-3H3,(H,13,15,16);1H/t7-;/m1./s1
InChIKeyNDMYONFCXUXLIC-OGFXRTJISA-N
MW274.75 g/mol
LogP1.89
Rot. Bonds3

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

N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride (PubChem CID 66949762) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride
PubChem CID66949762
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC NameN-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)(C)[C@H](N)c1nnc(NC(=O)C2CC2)o1.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-11(2,3)7(12)9-14-15-10(17-9)13-8(16)6-4-5-6;/h6-7H,4-5,12H2,1-3H3,(H,13,15,16);1H/t7-;/m1./s1
InChIKeyNDMYONFCXUXLIC-OGFXRTJISA-N
XLogP1.89
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride with MolForge

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Related Compounds

[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea
CID 58124290
N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 66949763
1-{5-[(1S)-1-Amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl}urea hydrochloride
CID 66952065
[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 68892927
tert-butyl [(1S)-1-{5-[(cyclopropylcarbonyl)amino]-1,3,4-oxadiazol-2-yl}-2,2-dimethylpropyl]carbamate
CID 70795363
N-[5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 70969126
[5-(1-Amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea
CID 70969177
tert-butyl N-[1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 70969652
5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen
CID 169163796
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(ethylamino)-2-methylpropanamide
CID 55121391
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 61251940
(2S)-2-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanamide
CID 61252132

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride (CID 66949762) is N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride is CC(C)(C)[C@H](N)c1nnc(NC(=O)C2CC2)o1.Cl.
What is the InChIKey of N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is NDMYONFCXUXLIC-OGFXRTJISA-N. The full InChI is InChI=1S/C11H18N4O2.ClH/c1-11(2,3)7(12)9-14-15-10(17-9)13-8(16)6-4-5-6;/h6-7H,4-5,12H2,1-3H3,(H,13,15,16);1H/t7-;/m1./s1.
What are the key properties of N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride?
N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 66949762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).