(1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol

C5H10N4O2 — CID 104965505

IUPAC(1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nc(N)no1
InChIInChI=1S/C5H10N4O2/c1-2(10)3(6)4-8-5(7)9-11-4/h2-3,10H,6H2,1H3,(H2,7,9)/t2-,3+/m1/s1
InChIKeyVBAARLIKJCVGMS-GBXIJSLDSA-N
MW158.16 g/mol
LogP-0.97
Rot. Bonds2

About (1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol

(1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol (PubChem CID 104965505) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol
PubChem CID104965505
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name(1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nc(N)no1
InChIInChI=1S/C5H10N4O2/c1-2(10)3(6)4-8-5(7)9-11-4/h2-3,10H,6H2,1H3,(H2,7,9)/t2-,3+/m1/s1
InChIKeyVBAARLIKJCVGMS-GBXIJSLDSA-N
XLogP-0.97
TPSA111.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116799569
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
ethyl 5-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631682
1-amino-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 43807265
(1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965588
(1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107837041
1-amino-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116701498
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
1-amino-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 61496533
(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 94352485
(1S,2R)-1-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965498

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol (CID 104965505) is (1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol is C[C@@H](O)[C@H](N)c1nc(N)no1.
What is the InChIKey of (1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol?
The InChIKey is VBAARLIKJCVGMS-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-2(10)3(6)4-8-5(7)9-11-4/h2-3,10H,6H2,1H3,(H2,7,9)/t2-,3+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol?
(1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol has a molecular weight of 158.16 g/mol, XLogP of -0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 104965505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).