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

C14H16N2O3 — CID 97444140

IUPAC4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESOc1ccc(CCc2nc([C@H]3CCOC3)no2)cc1
InChIInChI=1S/C14H16N2O3/c17-12-4-1-10(2-5-12)3-6-13-15-14(16-19-13)11-7-8-18-9-11/h1-2,4-5,11,17H,3,6-9H2/t11-/m0/s1
InChIKeyOMWOKFLTTAAMDN-NSHDSACASA-N
MW260.29 g/mol
LogP2.06
Rot. Bonds4

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

4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol (PubChem CID 97444140) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
PubChem CID97444140
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESOc1ccc(CCc2nc([C@H]3CCOC3)no2)cc1
InChIInChI=1S/C14H16N2O3/c17-12-4-1-10(2-5-12)3-6-13-15-14(16-19-13)11-7-8-18-9-11/h1-2,4-5,11,17H,3,6-9H2/t11-/m0/s1
InChIKeyOMWOKFLTTAAMDN-NSHDSACASA-N
XLogP2.06
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72919183
4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 65329992
5-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911667
5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72875211
3-[(3S)-oxolan-3-yl]-5-[3-(4-propan-2-ylphenyl)propyl]-1,2,4-oxadiazole
CID 97436367
5-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97435565
3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65329458
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72891945
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63851274
N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65329990

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The IUPAC name of 4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol (CID 97444140) is 4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol is Oc1ccc(CCc2nc([C@H]3CCOC3)no2)cc1.
What is the InChIKey of 4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The InChIKey is OMWOKFLTTAAMDN-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12-4-1-10(2-5-12)3-6-13-15-14(16-19-13)11-7-8-18-9-11/h1-2,4-5,11,17H,3,6-9H2/t11-/m0/s1.
What are the key properties of 4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol?
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol has a molecular weight of 260.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol is sourced from PubChem (CID 97444140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).