4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one

C14H11FN2O3S — CID 51128701

IUPAC4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
SMILESCOc1ccc(F)cc1Cn1c(-c2cccs2)noc1=O
InChIInChI=1S/C14H11FN2O3S/c1-19-11-5-4-10(15)7-9(11)8-17-13(16-20-14(17)18)12-3-2-6-21-12/h2-7H,8H2,1H3
InChIKeyKDWNUNWXPPXREP-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.76
Rot. Bonds4

About 4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one

4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 51128701) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
PubChem CID51128701
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
SMILESCOc1ccc(F)cc1Cn1c(-c2cccs2)noc1=O
InChIInChI=1S/C14H11FN2O3S/c1-19-11-5-4-10(15)7-9(11)8-17-13(16-20-14(17)18)12-3-2-6-21-12/h2-7H,8H2,1H3
InChIKeyKDWNUNWXPPXREP-UHFFFAOYSA-N
XLogP2.76
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one (CID 51128701) is 4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one is COc1ccc(F)cc1Cn1c(-c2cccs2)noc1=O.
What is the InChIKey of 4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is KDWNUNWXPPXREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c1-19-11-5-4-10(15)7-9(11)8-17-13(16-20-14(17)18)12-3-2-6-21-12/h2-7H,8H2,1H3.
What are the key properties of 4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one?
4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 306.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 51128701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).