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

C14H14N4O2 — CID 63218930

IUPAC1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCC(O)C(N)c1nc(-c2ccc3ccccc3n2)no1
InChIInChI=1S/C14H14N4O2/c1-8(19)12(15)14-17-13(18-20-14)11-7-6-9-4-2-3-5-10(9)16-11/h2-8,12,19H,15H2,1H3
InChIKeyVWASBQKLPMCJHP-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.67
Rot. Bonds3

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

1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (PubChem CID 63218930) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
PubChem CID63218930
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCC(O)C(N)c1nc(-c2ccc3ccccc3n2)no1
InChIInChI=1S/C14H14N4O2/c1-8(19)12(15)14-17-13(18-20-14)11-7-6-9-4-2-3-5-10(9)16-11/h2-8,12,19H,15H2,1H3
InChIKeyVWASBQKLPMCJHP-UHFFFAOYSA-N
XLogP1.67
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836904
(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 94352485
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
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63349453
1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114876663
2-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 79799134
(1S,2R)-1-amino-1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 103083443
2-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid
CID 63222572
2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 62715364
(1S,2R)-1-amino-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965415

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The IUPAC name of 1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (CID 63218930) is 1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is CC(O)C(N)c1nc(-c2ccc3ccccc3n2)no1.
What is the InChIKey of 1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The InChIKey is VWASBQKLPMCJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8(19)12(15)14-17-13(18-20-14)11-7-6-9-4-2-3-5-10(9)16-11/h2-8,12,19H,15H2,1H3.
What are the key properties of 1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol has a molecular weight of 270.29 g/mol, XLogP of 1.67, 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-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 63218930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).