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

C13H14N2O4 — CID 97160932

IUPAC2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2nc([C@H]3CCOC3)no2)cc1O
InChIInChI=1S/C13H14N2O4/c1-17-11-3-2-8(6-10(11)16)13-14-12(15-19-13)9-4-5-18-7-9/h2-3,6,9,16H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyDCOJZTNBIVQSAR-VIFPVBQESA-N
MW262.26 g/mol
LogP1.95
Rot. Bonds3

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

2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 97160932) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID97160932
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2nc([C@H]3CCOC3)no2)cc1O
InChIInChI=1S/C13H14N2O4/c1-17-11-3-2-8(6-10(11)16)13-14-12(15-19-13)9-4-5-18-7-9/h2-3,6,9,16H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyDCOJZTNBIVQSAR-VIFPVBQESA-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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Related Compounds

5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351
5-(4-fluoro-3-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911954
4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine
CID 97435460
3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 97444955
2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678825
5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72863065
2-bromo-5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 107037383
5-(4-methoxy-3,5-dimethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436599
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol (CID 97160932) is 2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol is COc1ccc(-c2nc([C@H]3CCOC3)no2)cc1O.
What is the InChIKey of 2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is DCOJZTNBIVQSAR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O4/c1-17-11-3-2-8(6-10(11)16)13-14-12(15-19-13)9-4-5-18-7-9/h2-3,6,9,16H,4-5,7H2,1H3/t9-/m0/s1.
What are the key properties of 2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol?
2-methoxy-5-[3-[(3R)-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-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 97160932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).