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

C5H10N4O2 — CID 107837041

IUPAC(1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESNCC[C@H](O)c1nc(N)no1
InChIInChI=1S/C5H10N4O2/c6-2-1-3(10)4-8-5(7)9-11-4/h3,10H,1-2,6H2,(H2,7,9)/t3-/m0/s1
InChIKeyVCVFKPCQZVQUIG-VKHMYHEASA-N
MW158.16 g/mol
LogP-0.97
Rot. Bonds3

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

(1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol (PubChem CID 107837041) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is (1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol
PubChem CID107837041
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name(1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESNCC[C@H](O)c1nc(N)no1
InChIInChI=1S/C5H10N4O2/c6-2-1-3(10)4-8-5(7)9-11-4/h3,10H,1-2,6H2,(H2,7,9)/t3-/m0/s1
InChIKeyVCVFKPCQZVQUIG-VKHMYHEASA-N
XLogP-0.97
TPSA111.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol?
The IUPAC name of (1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol (CID 107837041) is (1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol is NCC[C@H](O)c1nc(N)no1.
What is the InChIKey of (1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol?
The InChIKey is VCVFKPCQZVQUIG-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N4O2/c6-2-1-3(10)4-8-5(7)9-11-4/h3,10H,1-2,6H2,(H2,7,9)/t3-/m0/s1.
What are the key properties of (1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol?
(1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol has a molecular weight of 158.16 g/mol, XLogP of -0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol is sourced from PubChem (CID 107837041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).