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

C15H15N3O2 — CID 63349453

IUPAC1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCCC(O)Cc1nc(-c2ccc3ccccc3n2)no1
InChIInChI=1S/C15H15N3O2/c1-2-11(19)9-14-17-15(18-20-14)13-8-7-10-5-3-4-6-12(10)16-13/h3-8,11,19H,2,9H2,1H3
InChIKeyMFVAJQYVLZYAQW-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.60
Rot. Bonds4

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

1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 63349453) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID63349453
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCCC(O)Cc1nc(-c2ccc3ccccc3n2)no1
InChIInChI=1S/C15H15N3O2/c1-2-11(19)9-14-17-15(18-20-14)13-8-7-10-5-3-4-6-12(10)16-13/h3-8,11,19H,2,9H2,1H3
InChIKeyMFVAJQYVLZYAQW-UHFFFAOYSA-N
XLogP2.60
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103375297
1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345918
2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63758119
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 107504626
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 81491862
1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63218930
1-[3-(5-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 112751732
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 114015751
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349792
2-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 79799134
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349638
3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836904

Frequently Asked Questions

What is the IUPAC name of 1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 63349453) is 1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is CCC(O)Cc1nc(-c2ccc3ccccc3n2)no1.
What is the InChIKey of 1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is MFVAJQYVLZYAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-11(19)9-14-17-15(18-20-14)13-8-7-10-5-3-4-6-12(10)16-13/h3-8,11,19H,2,9H2,1H3.
What are the key properties of 1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 269.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 63349453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).