5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide

C8H14N4O2 — CID 102790212

IUPAC5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)[C@H](N)c1nc(C(N)=O)no1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)4(9)7-11-6(5(10)13)12-14-7/h4H,9H2,1-3H3,(H2,10,13)/t4-/m1/s1
InChIKeySPGUJJDUDKZNTM-SCSAIBSYSA-N
MW198.23 g/mol
LogP0.21
Rot. Bonds2

About 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide

5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790212) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790212
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)[C@H](N)c1nc(C(N)=O)no1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)4(9)7-11-6(5(10)13)12-14-7/h4H,9H2,1-3H3,(H2,10,13)/t4-/m1/s1
InChIKeySPGUJJDUDKZNTM-SCSAIBSYSA-N
XLogP0.21
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790267
ethyl 5-[(1R)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 104899651
5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791174
(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93057363
5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790274
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide
CID 58124164
2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 82008454
(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93258995
(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 107501935
(1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94552169
(1S)-2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899376
(1S)-2,2-dimethyl-1-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899383

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790212) is 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)[C@H](N)c1nc(C(N)=O)no1.
What is the InChIKey of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is SPGUJJDUDKZNTM-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,3)4(9)7-11-6(5(10)13)12-14-7/h4H,9H2,1-3H3,(H2,10,13)/t4-/m1/s1.
What are the key properties of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide?
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 198.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).