4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C16H20N2O2 — CID 63349538

IUPAC4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(O)CCc1nc(C2(c3ccccc3)CCC2)no1
InChIInChI=1S/C16H20N2O2/c1-12(19)8-9-14-17-15(18-20-14)16(10-5-11-16)13-6-3-2-4-7-13/h2-4,6-7,12,19H,5,8-11H2,1H3
InChIKeyHGPKMBNXTSHMEJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.85
Rot. Bonds5

About 4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 63349538) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID63349538
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(O)CCc1nc(C2(c3ccccc3)CCC2)no1
InChIInChI=1S/C16H20N2O2/c1-12(19)8-9-14-17-15(18-20-14)16(10-5-11-16)13-6-3-2-4-7-13/h2-4,6-7,12,19H,5,8-11H2,1H3
InChIKeyHGPKMBNXTSHMEJ-UHFFFAOYSA-N
XLogP2.85
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63079908
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81066810
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349809
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349444
3-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350169
(1S)-3-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836883
2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66166712
methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79481889
(1R)-3-methylsulfanyl-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909434
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794
2-[[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetonitrile
CID 106524692

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 63349538) is 4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CC(O)CCc1nc(C2(c3ccccc3)CCC2)no1.
What is the InChIKey of 4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is HGPKMBNXTSHMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(19)8-9-14-17-15(18-20-14)16(10-5-11-16)13-6-3-2-4-7-13/h2-4,6-7,12,19H,5,8-11H2,1H3.
What are the key properties of 4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 272.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 63349538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).