(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol

C14H16N2O3 — CID 78931160

IUPAC(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C14H16N2O3/c1-9(17)11-4-2-3-5-12(11)18-8-13-15-14(16-19-13)10-6-7-10/h2-5,9-10,17H,6-8H2,1H3/t9-/m0/s1
InChIKeyXPRUFOCOPMLWSX-VIFPVBQESA-N
MW260.29 g/mol
LogP2.58
Rot. Bonds5

About (1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol

(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 78931160) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
PubChem CID78931160
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C14H16N2O3/c1-9(17)11-4-2-3-5-12(11)18-8-13-15-14(16-19-13)10-6-7-10/h2-5,9-10,17H,6-8H2,1H3/t9-/m0/s1
InChIKeyXPRUFOCOPMLWSX-VIFPVBQESA-N
XLogP2.58
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 61496080
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanol
CID 63067508
1-[4-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 102948276
(1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78931347
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 61496143
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095
[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 54959648
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63064418
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 51078362
[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 114320504
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 61380152
1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 43503950

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol (CID 78931160) is (1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol is C[C@H](O)c1ccccc1OCc1nc(C2CC2)no1.
What is the InChIKey of (1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is XPRUFOCOPMLWSX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(17)11-4-2-3-5-12(11)18-8-13-15-14(16-19-13)10-6-7-10/h2-5,9-10,17H,6-8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 260.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78931160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).