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

C12H14N2O2 — CID 63345367

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(O)C(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C12H14N2O2/c1-8(9(2)15)12-13-11(14-16-12)10-6-4-3-5-7-10/h3-9,15H,1-2H3
InChIKeyTTZDYMFTORYMKI-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.22
Rot. Bonds3

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

3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 63345367) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID63345367
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(O)C(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C12H14N2O2/c1-8(9(2)15)12-13-11(14-16-12)10-6-4-3-5-7-10/h3-9,15H,1-2H3
InChIKeyTTZDYMFTORYMKI-UHFFFAOYSA-N
XLogP2.22
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 104847315
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345406
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
CID 120835072
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346270
(1S)-N,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 59361184
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103445438
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65197551
2,2-dimethyl-N-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 7449710
phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63850087
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 63345367) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol is CC(O)C(C)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is TTZDYMFTORYMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(9(2)15)12-13-11(14-16-12)10-6-4-3-5-7-10/h3-9,15H,1-2H3.
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 218.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 63345367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).