[3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol

C11H11N3O2 — CID 145289640

IUPAC[3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(N2Cc3ccccc3C2)no1
InChIInChI=1S/C11H11N3O2/c15-7-10-12-11(13-16-10)14-5-8-3-1-2-4-9(8)6-14/h1-4,15H,5-7H2
InChIKeyNHADDWDBQZSJKF-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.08
Rot. Bonds2

About [3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol

[3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 145289640) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is [3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID145289640
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name[3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(N2Cc3ccccc3C2)no1
InChIInChI=1S/C11H11N3O2/c15-7-10-12-11(13-16-10)14-5-8-3-1-2-4-9(8)6-14/h1-4,15H,5-7H2
InChIKeyNHADDWDBQZSJKF-UHFFFAOYSA-N
XLogP1.08
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol with MolForge

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Related Compounds

(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
(3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol
CID 63758125
4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
CID 90650930
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 116808988
2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
CID 56710695
2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 137002934
[4-(1,3-dihydroisoindol-2-yl)phenyl]methanol
CID 62206101
[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol
CID 55050048
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116809557
[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 116807107
4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116809545
5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 167920358

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol (CID 145289640) is [3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(N2Cc3ccccc3C2)no1.
What is the InChIKey of [3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is NHADDWDBQZSJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-7-10-12-11(13-16-10)14-5-8-3-1-2-4-9(8)6-14/h1-4,15H,5-7H2.
What are the key properties of [3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 217.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dihydroisoindol-2-yl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 145289640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).