5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide

C7H12N4O2 — CID 102790267

IUPAC5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)[C@@H](N)c1nc(C(N)=O)no1
InChIInChI=1S/C7H12N4O2/c1-3(2)4(8)7-10-6(5(9)12)11-13-7/h3-4H,8H2,1-2H3,(H2,9,12)/t4-/m1/s1
InChIKeyKLDSOVPRJLEVJV-SCSAIBSYSA-N
MW184.20 g/mol
LogP-0.18
Rot. Bonds3

About 5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide

5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790267) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790267
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)[C@@H](N)c1nc(C(N)=O)no1
InChIInChI=1S/C7H12N4O2/c1-3(2)4(8)7-10-6(5(9)12)11-13-7/h3-4H,8H2,1-2H3,(H2,9,12)/t4-/m1/s1
InChIKeyKLDSOVPRJLEVJV-SCSAIBSYSA-N
XLogP-0.18
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790618
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790212
5-[amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790274
ethyl 5-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631682
5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790082
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 63717020
(1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901611
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 79077153
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
(1R)-2-methyl-1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104901635
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790267) is 5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)[C@@H](N)c1nc(C(N)=O)no1.
What is the InChIKey of 5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is KLDSOVPRJLEVJV-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3(2)4(8)7-10-6(5(9)12)11-13-7/h3-4H,8H2,1-2H3,(H2,9,12)/t4-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide?
5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).