1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C11H14N4O2 — CID 114876663

IUPAC1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCc1ccncc1-c1noc(C(N)C(C)O)n1
InChIInChI=1S/C11H14N4O2/c1-6-3-4-13-5-8(6)10-14-11(17-15-10)9(12)7(2)16/h3-5,7,9,16H,12H2,1-2H3
InChIKeyFTAIOLSPYPACBI-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.82
Rot. Bonds3

About 1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 114876663) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID114876663
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCc1ccncc1-c1noc(C(N)C(C)O)n1
InChIInChI=1S/C11H14N4O2/c1-6-3-4-13-5-8(6)10-14-11(17-15-10)9(12)7(2)16/h3-5,7,9,16H,12H2,1-2H3
InChIKeyFTAIOLSPYPACBI-UHFFFAOYSA-N
XLogP0.82
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 114878919
1-amino-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 43807265
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
(1S,2R)-1-amino-1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 103083443
1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 114876517
(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899860
(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 94352485
N-[2-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]acetamide
CID 45235273
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114878940
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 114877008
(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104982353
N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114878947

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 114876663) is 1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is Cc1ccncc1-c1noc(C(N)C(C)O)n1.
What is the InChIKey of 1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is FTAIOLSPYPACBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-3-4-13-5-8(6)10-14-11(17-15-10)9(12)7(2)16/h3-5,7,9,16H,12H2,1-2H3.
What are the key properties of 1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 234.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 114876663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).