N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide

C17H14FN3O4 — CID 7680603

IUPACN-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
SMILESCOc1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H14FN3O4/c1-23-13-8-5-11(9-14(13)24-2)15-16(21-25-20-15)19-17(22)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H,19,21,22)
InChIKeyRVJHHMCMGPZDCU-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.15
Rot. Bonds5

About N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide

N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide (PubChem CID 7680603) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
PubChem CID7680603
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
SMILESCOc1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H14FN3O4/c1-23-13-8-5-11(9-14(13)24-2)15-16(21-25-20-15)19-17(22)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H,19,21,22)
InChIKeyRVJHHMCMGPZDCU-UHFFFAOYSA-N
XLogP3.15
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide (CID 7680603) is N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide is COc1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
The InChIKey is RVJHHMCMGPZDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-23-13-8-5-11(9-14(13)24-2)15-16(21-25-20-15)19-17(22)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide has a molecular weight of 343.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 7680603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).