2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol

C14H17N3O2 — CID 66166712

IUPAC2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNCC(O)c1nc(C2(c3ccccc3)CCC2)no1
InChIInChI=1S/C14H17N3O2/c15-9-11(18)12-16-13(17-19-12)14(7-4-8-14)10-5-2-1-3-6-10/h1-3,5-6,11,18H,4,7-9,15H2
InChIKeyUMWOWDNOZSTSRG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol

2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 66166712) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID66166712
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNCC(O)c1nc(C2(c3ccccc3)CCC2)no1
InChIInChI=1S/C14H17N3O2/c15-9-11(18)12-16-13(17-19-12)14(7-4-8-14)10-5-2-1-3-6-10/h1-3,5-6,11,18H,4,7-9,15H2
InChIKeyUMWOWDNOZSTSRG-UHFFFAOYSA-N
XLogP1.53
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 63346075
1-[3-[(3-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 63349311
1-[3-[(2-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 63349371
1-[3-[(2,4-Difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 64559119
2-[3-[2-(4-Fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 64759745
2-[3-[2-(4-Fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine
CID 64759750
[3-[2-(4-Fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol
CID 64768194
1-[3-[2-(4-Fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol
CID 64768390
2-Amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66165067
2-Amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66165068
2-Amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66165264
2-Amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66165265

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 66166712) is 2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol is NCC(O)c1nc(C2(c3ccccc3)CCC2)no1.
What is the InChIKey of 2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is UMWOWDNOZSTSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-9-11(18)12-16-13(17-19-12)14(7-4-8-14)10-5-2-1-3-6-10/h1-3,5-6,11,18H,4,7-9,15H2.
What are the key properties of 2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 259.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 66166712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).