4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol

C14H10FN3O2 — CID 137011359

IUPAC4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(F)cc1-c1nc(Cc2ccncc2)no1
InChIInChI=1S/C14H10FN3O2/c15-10-1-2-12(19)11(8-10)14-17-13(18-20-14)7-9-3-5-16-6-4-9/h1-6,8,19H,7H2
InChIKeyIHXZTEQQJDPMNI-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.57
Rot. Bonds3

About 4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol

4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137011359) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137011359
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(F)cc1-c1nc(Cc2ccncc2)no1
InChIInChI=1S/C14H10FN3O2/c15-10-1-2-12(19)11(8-10)14-17-13(18-20-14)7-9-3-5-16-6-4-9/h1-6,8,19H,7H2
InChIKeyIHXZTEQQJDPMNI-UHFFFAOYSA-N
XLogP2.57
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011336
4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011370
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011382
4-fluoro-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011417
3-fluoro-4-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795420
4-fluoro-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136908077
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751036
4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136903992
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904425
3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 55169572
2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 43329960

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 137011359) is 4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(F)cc1-c1nc(Cc2ccncc2)no1.
What is the InChIKey of 4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is IHXZTEQQJDPMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-10-1-2-12(19)11(8-10)14-17-13(18-20-14)7-9-3-5-16-6-4-9/h1-6,8,19H,7H2.
What are the key properties of 4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 271.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137011359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).