2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol

C13H14N2O4 — CID 136678825

IUPAC2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1cccc(-c2nc([C@@H]3CCOC3)no2)c1O
InChIInChI=1S/C13H14N2O4/c1-17-10-4-2-3-9(11(10)16)13-14-12(15-19-13)8-5-6-18-7-8/h2-4,8,16H,5-7H2,1H3/t8-/m1/s1
InChIKeyUCZNAUDBOZLFEC-MRVPVSSYSA-N
MW262.26 g/mol
LogP1.95
Rot. Bonds3

About 2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol

2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136678825) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136678825
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1cccc(-c2nc([C@@H]3CCOC3)no2)c1O
InChIInChI=1S/C13H14N2O4/c1-17-10-4-2-3-9(11(10)16)13-14-12(15-19-13)8-5-6-18-7-8/h2-4,8,16H,5-7H2,1H3/t8-/m1/s1
InChIKeyUCZNAUDBOZLFEC-MRVPVSSYSA-N
XLogP1.95
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol (CID 136678825) is 2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol is COc1cccc(-c2nc([C@@H]3CCOC3)no2)c1O.
What is the InChIKey of 2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is UCZNAUDBOZLFEC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-17-10-4-2-3-9(11(10)16)13-14-12(15-19-13)8-5-6-18-7-8/h2-4,8,16H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol?
2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 262.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136678825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).