2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol

C16H20N2O3 — CID 45183968

IUPAC2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
SMILESCC1(c2nc(-c3ccc(CCO)cc3)no2)CCCCO1
InChIInChI=1S/C16H20N2O3/c1-16(9-2-3-11-20-16)15-17-14(18-21-15)13-6-4-12(5-7-13)8-10-19/h4-7,19H,2-3,8-11H2,1H3
InChIKeyHYLWXIAHKKKFNX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.69
Rot. Bonds4

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

2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol (PubChem CID 45183968) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
PubChem CID45183968
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
SMILESCC1(c2nc(-c3ccc(CCO)cc3)no2)CCCCO1
InChIInChI=1S/C16H20N2O3/c1-16(9-2-3-11-20-16)15-17-14(18-21-15)13-6-4-12(5-7-13)8-10-19/h4-7,19H,2-3,8-11H2,1H3
InChIKeyHYLWXIAHKKKFNX-UHFFFAOYSA-N
XLogP2.69
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol (CID 45183968) is 2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol is CC1(c2nc(-c3ccc(CCO)cc3)no2)CCCCO1.
What is the InChIKey of 2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The InChIKey is HYLWXIAHKKKFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(9-2-3-11-20-16)15-17-14(18-21-15)13-6-4-12(5-7-13)8-10-19/h4-7,19H,2-3,8-11H2,1H3.
What are the key properties of 2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol has a molecular weight of 288.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2-methyloxan-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol is sourced from PubChem (CID 45183968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).