(1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol

C10H16N6O2 — CID 134344750

IUPAC(1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)[C@H](N)c1nc([C@@H](N)Cc2cnc[nH]2)no1
InChIInChI=1S/C10H16N6O2/c1-5(17)8(12)10-15-9(16-18-10)7(11)2-6-3-13-4-14-6/h3-5,7-8,17H,2,11-12H2,1H3,(H,13,14)/t5?,7-,8-/m0/s1
InChIKeyPCXNFARGSRPKIG-TWELXNIESA-N
MW252.28 g/mol
LogP-0.58
Rot. Bonds5

About (1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol

(1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 134344750) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is (1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID134344750
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name(1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)[C@H](N)c1nc([C@@H](N)Cc2cnc[nH]2)no1
InChIInChI=1S/C10H16N6O2/c1-5(17)8(12)10-15-9(16-18-10)7(11)2-6-3-13-4-14-6/h3-5,7-8,17H,2,11-12H2,1H3,(H,13,14)/t5?,7-,8-/m0/s1
InChIKeyPCXNFARGSRPKIG-TWELXNIESA-N
XLogP-0.58
TPSA139.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(1S)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894821
(1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894655
3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764
(3S)-3-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-3-[[(2S)-1-hydroxy-3-oxobutan-2-yl]carbamoylamino]propanoic acid
CID 157388232
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894817
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
CID 165485208
(1S)-1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29050320
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894568
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
(1R)-1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894667
5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791374

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of (1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 134344750) is (1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(O)[C@H](N)c1nc([C@@H](N)Cc2cnc[nH]2)no1.
What is the InChIKey of (1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is PCXNFARGSRPKIG-TWELXNIESA-N. The full InChI is InChI=1S/C10H16N6O2/c1-5(17)8(12)10-15-9(16-18-10)7(11)2-6-3-13-4-14-6/h3-5,7-8,17H,2,11-12H2,1H3,(H,13,14)/t5?,7-,8-/m0/s1.
What are the key properties of (1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
(1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 252.28 g/mol, XLogP of -0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 134344750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).