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

C14H14N4O2 — CID 107836904

IUPAC3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESNCCC(O)c1nc(-c2ccc3ccccc3n2)no1
InChIInChI=1S/C14H14N4O2/c15-8-7-12(19)14-17-13(18-20-14)11-6-5-9-3-1-2-4-10(9)16-11/h1-6,12,19H,7-8,15H2
InChIKeyHFMOPERTMGCHPH-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.67
Rot. Bonds4

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

3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol (PubChem CID 107836904) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
PubChem CID107836904
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESNCCC(O)c1nc(-c2ccc3ccccc3n2)no1
InChIInChI=1S/C14H14N4O2/c15-8-7-12(19)14-17-13(18-20-14)11-6-5-9-3-1-2-4-10(9)16-11/h1-6,12,19H,7-8,15H2
InChIKeyHFMOPERTMGCHPH-UHFFFAOYSA-N
XLogP1.67
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
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-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836843
1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63218930
(1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836841
3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836623
(1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837176
3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 136755756
3-amino-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114006924
2-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid
CID 63222572
(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 107836639
3-amino-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836732
1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63349453
3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114007003

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol (CID 107836904) is 3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol is NCCC(O)c1nc(-c2ccc3ccccc3n2)no1.
What is the InChIKey of 3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The InChIKey is HFMOPERTMGCHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-8-7-12(19)14-17-13(18-20-14)11-6-5-9-3-1-2-4-10(9)16-11/h1-6,12,19H,7-8,15H2.
What are the key properties of 3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol has a molecular weight of 270.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol is sourced from PubChem (CID 107836904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).