5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one

C9H7FN2O3 — CID 102885450

IUPAC5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(-c2n[nH]c(=O)o2)c(F)c1
InChIInChI=1S/C9H7FN2O3/c1-14-5-2-3-6(7(10)4-5)8-11-12-9(13)15-8/h2-4H,1H3,(H,12,13)
InChIKeyRKDLPHSPAQNZML-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.18
Rot. Bonds2

About 5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one

5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 102885450) has the molecular formula C9H7FN2O3 and a molecular weight of 210.16 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID102885450
Molecular FormulaC9H7FN2O3
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(-c2n[nH]c(=O)o2)c(F)c1
InChIInChI=1S/C9H7FN2O3/c1-14-5-2-3-6(7(10)4-5)8-11-12-9(13)15-8/h2-4H,1H3,(H,12,13)
InChIKeyRKDLPHSPAQNZML-UHFFFAOYSA-N
XLogP1.18
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 118913437
4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 171777951
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
2-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 102884314
1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850187
4-amino-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 102883560
5-fluoro-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 70819002
4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 106520950
5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
CID 102883587
4-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
3-(2-fluoro-4-methoxyphenyl)-2-methylpyridine
CID 118448916
5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 136531235

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one (CID 102885450) is 5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one is COc1ccc(-c2n[nH]c(=O)o2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is RKDLPHSPAQNZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3/c1-14-5-2-3-6(7(10)4-5)8-11-12-9(13)15-8/h2-4H,1H3,(H,12,13).
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 210.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 102885450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).