7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide

C19H14FN3O3 — CID 24816922

IUPAC7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2nnc(-c3ccccc3)o2)oc2c(F)cccc12
InChIInChI=1S/C19H14FN3O3/c1-11-13-8-5-9-14(20)17(13)26-16(11)18(24)21-10-15-22-23-19(25-15)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,24)
InChIKeyDIGSMNRZRONOQB-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.86
Rot. Bonds4

About 7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide

7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 24816922) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID24816922
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2nnc(-c3ccccc3)o2)oc2c(F)cccc12
InChIInChI=1S/C19H14FN3O3/c1-11-13-8-5-9-14(20)17(13)26-16(11)18(24)21-10-15-22-23-19(25-15)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,24)
InChIKeyDIGSMNRZRONOQB-UHFFFAOYSA-N
XLogP3.86
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 24816922) is 7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2nnc(-c3ccccc3)o2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is DIGSMNRZRONOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c1-11-13-8-5-9-14(20)17(13)26-16(11)18(24)21-10-15-22-23-19(25-15)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,24).
What are the key properties of 7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24816922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).